 Entering Gaussian System, Link 0=g16
 Input=26_junionone_conformer15_STD_M11_augccpVDZ.in
 Output=26_junionone_conformer15_STD_M11_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/Gau-34545.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     34549.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=26_junionone_conformer15_STD_M11_augccpVDZ
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 21:13:30 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "26_junionone_conformer15_STD_M11_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.529110000000      0.738170000000      1.520718000000
  C                                                -2.026745000000      0.339638000000      0.135970000000
  C                                                -0.893023000000     -0.304125000000     -0.756918000000
  C                                                 0.504969000000      0.154007000000     -0.577709000000
  C                                                 1.520990000000     -0.584013000000     -0.125283000000
  C                                                 2.904373000000     -0.104314000000      0.063302000000
  O                                                 3.757841000000     -0.865833000000      0.478807000000
  C                                                -2.812629000000      1.468108000000     -0.506868000000
  C                                                -2.698185000000     -1.062721000000      0.151340000000
  C                                                -1.361985000000     -1.699049000000     -0.295661000000
  C                                                 3.243168000000      1.336395000000     -0.261310000000
  H                                                -3.468386000000     -1.147602000000     -0.616388000000
  H                                                -3.114217000000     -1.391151000000      1.103934000000
  H                                                -1.177274000000     -0.145648000000     -1.802742000000
  H                                                -0.785318000000     -2.067458000000      0.551823000000
  H                                                -1.402565000000     -2.481159000000     -1.051891000000
  H                                                -0.900793000000      1.630410000000      1.475839000000
  H                                                -0.942765000000     -0.055057000000      1.986408000000
  H                                                -2.377267000000      0.957410000000      2.173373000000
  H                                                -3.180409000000      1.181340000000     -1.494152000000
  H                                                -2.194867000000      2.362917000000     -0.622846000000
  H                                                -3.675004000000      1.740830000000      0.107109000000
  H                                                 0.686365000000      1.193470000000     -0.838045000000
  H                                                 1.379098000000     -1.625731000000      0.138442000000
  H                                                 3.041928000000      1.555618000000     -1.311973000000
  H                                                 4.296861000000      1.503639000000     -0.052940000000
  H                                                 2.640948000000      2.022263000000      0.338103000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 21:13:30 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.529110    0.738170    1.520718
      2          6           0       -2.026745    0.339638    0.135970
      3          6           0       -0.893023   -0.304125   -0.756918
      4          6           0        0.504969    0.154007   -0.577709
      5          6           0        1.520990   -0.584013   -0.125283
      6          6           0        2.904373   -0.104314    0.063302
      7          8           0        3.757841   -0.865833    0.478807
      8          6           0       -2.812629    1.468108   -0.506868
      9          6           0       -2.698185   -1.062721    0.151340
     10          6           0       -1.361985   -1.699049   -0.295661
     11          6           0        3.243168    1.336395   -0.261310
     12          1           0       -3.468386   -1.147602   -0.616388
     13          1           0       -3.114217   -1.391151    1.103934
     14          1           0       -1.177274   -0.145648   -1.802742
     15          1           0       -0.785318   -2.067458    0.551823
     16          1           0       -1.402565   -2.481159   -1.051891
     17          1           0       -0.900793    1.630410    1.475839
     18          1           0       -0.942765   -0.055057    1.986408
     19          1           0       -2.377267    0.957410    2.173373
     20          1           0       -3.180409    1.181340   -1.494152
     21          1           0       -2.194867    2.362917   -0.622846
     22          1           0       -3.675004    1.740830    0.107109
     23          1           0        0.686365    1.193470   -0.838045
     24          1           0        1.379098   -1.625731    0.138442
     25          1           0        3.041928    1.555618   -1.311973
     26          1           0        4.296861    1.503639   -0.052940
     27          1           0        2.640948    2.022263    0.338103
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.524466   0.000000
     3  C    2.584301   1.580192   0.000000
     4  C    2.980289   2.636925   1.482020   0.000000
     5  C    3.709528   3.675297   2.510928   1.334789   0.000000
     6  C    4.742321   4.951596   3.890103   2.496951   1.476287
     7  O    5.622300   5.918795   4.844901   3.568960   2.334063
     8  C    2.508253   1.517992   2.624542   3.569081   4.810100
     9  C    2.546594   1.554889   2.158474   3.503161   4.255246
    10  C    3.044208   2.187340   1.542237   2.645541   3.095784
    11  C    5.129146   5.378042   4.477165   2.999314   2.583093
    12  H    3.447339   2.203691   2.713613   4.181295   5.045066
    13  H    2.687058   2.261676   3.094850   4.279479   4.862879
    14  H    3.456922   2.171568   1.095291   2.102484   3.207283
    15  H    3.059989   2.740107   2.198578   2.806348   2.824560
    16  H    4.122913   3.123701   2.255243   3.287497   3.606236
    17  H    1.092194   2.174652   2.954266   2.893612   3.651341
    18  H    1.090815   2.180577   2.755058   2.952006   3.287723
    19  H    1.092426   2.157665   3.518672   4.064627   4.780817
    20  H    3.465924   2.167187   2.825288   3.934119   5.205135
    21  H    2.770903   2.167424   2.970839   3.488615   4.768601
    22  H    2.758347   2.163546   3.559186   4.523180   5.697127
    23  H    3.267934   3.006443   2.178036   1.086813   2.089037
    24  H    3.994545   3.932232   2.776841   2.108184   1.083910
    25  H    5.439370   5.409861   4.387547   2.989953   2.880886
    26  H    6.083114   6.432618   5.540622   4.058982   3.474044
    27  H    4.520714   4.965827   4.370366   2.981862   2.874319
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.216948   0.000000
     8  C    5.956653   7.042010   0.000000
     9  C    5.684624   6.467323   2.617524   0.000000
    10  C    4.568790   5.244680   3.489966   1.546012   0.000000
    11  C    1.515189   2.379594   6.062205   6.420725   5.515663
    12  H    6.493265   7.314178   2.698880   1.090789   2.200883
    13  H    6.241978   6.920399   3.295603   1.090130   2.263622
    14  H    4.488170   5.484477   2.637780   2.640574   2.172203
    15  H    4.207898   4.699950   4.210825   2.197486   1.089265
    16  H    5.044082   5.619796   4.228716   2.266796   1.088681
    17  H    4.414048   5.378492   2.759091   3.498267   3.799501
    18  H    4.301306   5.002591   3.468840   2.732098   2.843641
    19  H    5.785791   6.620825   2.762977   2.876202   3.766125
    20  H    6.411173   7.498186   1.091892   2.824180   3.611051
    21  H    5.706161   6.860991   1.093510   3.547913   4.159364
    22  H    6.833350   7.885432   1.093177   2.969180   4.164739
    23  H    2.723275   3.925404   3.525346   4.186223   3.585608
    24  H    2.155648   2.520260   5.249651   4.115991   2.776213
    25  H    2.160018   3.095618   5.910304   6.476564   5.569578
    26  H    2.130269   2.487508   7.124055   7.453764   6.506817
    27  H    2.160379   3.099733   5.546401   6.169145   5.502117
                   11         12         13         14         15
    11  C    0.000000
    12  H    7.165283   0.000000
    13  H    7.051223   1.773206   0.000000
    14  H    4.910476   2.767768   3.708341   0.000000
    15  H    5.336300   3.067524   2.487165   3.064467   0.000000
    16  H    6.064781   2.497129   2.960651   2.463563   1.767496
    17  H    4.502948   4.322881   3.763959   3.738973   3.813315
    18  H    4.950799   3.787739   2.697983   3.797481   2.476405
    19  H    6.136823   3.661200   2.683754   4.297233   3.783326
    20  H    6.542651   2.505468   3.656794   2.422535   4.525170
    21  H    5.545871   3.734386   4.233202   2.953057   4.795300
    22  H    6.939770   2.984825   3.334284   3.666740   4.801157
    23  H    2.624937   4.774066   4.989586   2.489383   3.838129
    24  H    3.522605   4.929146   4.601856   3.534668   2.247377
    25  H    1.091993   7.083461   7.240040   4.575678   5.590011
    26  H    1.087041   8.224695   8.040040   5.978972   6.240754
    27  H    1.091961   6.948601   6.734970   4.884862   5.339550
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.852442   0.000000
    18  H    3.915182   1.761602   0.000000
    19  H    4.814159   1.766199   1.765741   0.000000
    20  H    4.095146   3.770830   4.318568   3.761106   0.000000
    21  H    4.927159   2.572095   3.771281   3.134894   1.768217
    22  H    4.932793   3.095458   3.771221   2.562677   1.766831
    23  H    4.232287   2.839726   3.491478   4.302349   3.922061
    24  H    3.144249   4.193923   3.357535   4.992378   5.597688
    25  H    6.009720   4.829341   5.417690   6.470948   6.236245
    26  H    7.025665   5.419303   5.834565   7.056828   7.621715
    27  H    6.209903   3.740578   4.458157   5.448358   6.160561
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.763698   0.000000
    23  H    3.116956   4.496049   0.000000
    24  H    5.409445   6.072780   3.062891   0.000000
    25  H    5.343281   6.867698   2.429905   3.871652   0.000000
    26  H    6.573103   7.976999   3.707867   4.282864   1.778405
    27  H    4.942123   6.326438   2.427059   3.865228   1.761049
                   26         27
    26  H    0.000000
    27  H    1.778745   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 0.00D+00
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.529110    0.738170    1.520718
      2          6           0       -2.026745    0.339638    0.135970
      3          6           0       -0.893023   -0.304125   -0.756918
      4          6           0        0.504969    0.154007   -0.577709
      5          6           0        1.520990   -0.584013   -0.125283
      6          6           0        2.904373   -0.104314    0.063302
      7          8           0        3.757841   -0.865833    0.478807
      8          6           0       -2.812629    1.468108   -0.506868
      9          6           0       -2.698185   -1.062721    0.151340
     10          6           0       -1.361985   -1.699049   -0.295661
     11          6           0        3.243168    1.336395   -0.261310
     12          1           0       -3.468386   -1.147602   -0.616388
     13          1           0       -3.114217   -1.391151    1.103934
     14          1           0       -1.177274   -0.145648   -1.802742
     15          1           0       -0.785318   -2.067458    0.551823
     16          1           0       -1.402565   -2.481159   -1.051891
     17          1           0       -0.900793    1.630410    1.475839
     18          1           0       -0.942765   -0.055057    1.986408
     19          1           0       -2.377267    0.957410    2.173373
     20          1           0       -3.180409    1.181340   -1.494152
     21          1           0       -2.194867    2.362917   -0.622846
     22          1           0       -3.675004    1.740830    0.107109
     23          1           0        0.686365    1.193470   -0.838045
     24          1           0        1.379098   -1.625731    0.138442
     25          1           0        3.041928    1.555618   -1.311973
     26          1           0        4.296861    1.503639   -0.052940
     27          1           0        2.640948    2.022263    0.338103
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.1821229           0.5349648           0.4880821
 Leave Link  202 at Thu Aug 12 21:13:31 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      8      9     10     11
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 436 were deleted.
 There are   419 symmetry adapted cartesian basis functions of A   symmetry.
 There are   397 symmetry adapted basis functions of A   symmetry.
   397 basis functions,   709 primitive gaussians,   419 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       611.8258063864 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 21:13:33 2021, MaxMem=  5368709120 cpu:              17.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   397 RedAO= T EigKep=  2.84D-06  NBF=   397
 NBsUse=   397 1.00D-06 EigRej= -1.00D+00 NBFU=   397
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   419   419   419   419   419 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Thu Aug 12 21:13:34 2021, MaxMem=  5368709120 cpu:               6.5 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 21:13:35 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "26_junionone_conformer15_STD_M11_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 21:13:36 2021, MaxMem=  5368709120 cpu:               6.4 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368350547 LenY=  5368174545
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -465.624861472108    
 DIIS: error= 3.62D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -465.624861472108     IErMin= 1 ErrMin= 3.62D-03
 ErrMax= 3.62D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.33D-02 BMatP= 1.33D-02
 IDIUse=3 WtCom= 9.64D-01 WtEn= 3.62D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.378 Goal=   None    Shift=    0.000
 GapD=    0.378 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=3.08D-02 MaxDP=4.60D+00              OVMax= 2.26D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.52D-02    CP:  1.60D+00
 E= -465.638374971950     Delta-E=       -0.013513499842 Rises=F Damp=F
 DIIS: error= 7.01D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -465.638374971950     IErMin= 2 ErrMin= 7.01D-04
 ErrMax= 7.01D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.97D-04 BMatP= 1.33D-02
 IDIUse=3 WtCom= 9.93D-01 WtEn= 7.01D-03
 Coeff-Com: -0.689D-02 0.101D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.685D-02 0.101D+01
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=5.30D-03 MaxDP=8.12D-01 DE=-1.35D-02 OVMax= 1.08D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.57D-03    CP:  1.71D+00  1.16D+00
 E= -465.638574583904     Delta-E=       -0.000199611954 Rises=F Damp=F
 DIIS: error= 8.15D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -465.638574583904     IErMin= 2 ErrMin= 7.01D-04
 ErrMax= 8.15D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.31D-04 BMatP= 5.97D-04
 IDIUse=3 WtCom= 2.59D-01 WtEn= 7.41D-01
 Coeff-Com: -0.498D-01 0.556D+00 0.494D+00
 Coeff-En:   0.000D+00 0.372D+00 0.628D+00
 Coeff:     -0.129D-01 0.420D+00 0.593D+00
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=4.19D-04 MaxDP=5.06D-02 DE=-2.00D-04 OVMax= 7.53D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.05D-04    CP:  1.71D+00  1.17D+00  1.04D+00
 E= -465.639018002826     Delta-E=       -0.000443418922 Rises=F Damp=F
 DIIS: error= 3.16D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -465.639018002826     IErMin= 4 ErrMin= 3.16D-04
 ErrMax= 3.16D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.17D-04 BMatP= 5.97D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.16D-03
 Coeff-Com: -0.587D-02-0.496D-01 0.275D+00 0.780D+00
 Coeff-En:   0.000D+00 0.000D+00 0.106D+00 0.894D+00
 Coeff:     -0.586D-02-0.494D-01 0.275D+00 0.781D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=3.19D-04 MaxDP=4.16D-02 DE=-4.43D-04 OVMax= 2.94D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.14D-04    CP:  1.72D+00  1.18D+00  1.15D+00  1.04D+00
 E= -465.639106821744     Delta-E=       -0.000088818918 Rises=F Damp=F
 DIIS: error= 4.65D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -465.639106821744     IErMin= 5 ErrMin= 4.65D-05
 ErrMax= 4.65D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.16D-06 BMatP= 1.17D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.237D-02-0.710D-01 0.547D-01 0.295D+00 0.719D+00
 Coeff:      0.237D-02-0.710D-01 0.547D-01 0.295D+00 0.719D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=5.04D-05 MaxDP=2.37D-03 DE=-8.88D-05 OVMax= 4.59D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.92D-05    CP:  1.72D+00  1.18D+00  1.16D+00  1.07D+00  1.15D+00
 E= -465.639109456759     Delta-E=       -0.000002635015 Rises=F Damp=F
 DIIS: error= 9.38D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -465.639109456759     IErMin= 6 ErrMin= 9.38D-06
 ErrMax= 9.38D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.17D-07 BMatP= 2.16D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.116D-02-0.118D-01-0.129D-01-0.256D-02 0.156D+00 0.870D+00
 Coeff:      0.116D-02-0.118D-01-0.129D-01-0.256D-02 0.156D+00 0.870D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=1.95D-05 MaxDP=2.82D-03 DE=-2.64D-06 OVMax= 3.10D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  9.66D-06    CP:  1.72D+00  1.18D+00  1.16D+00  1.09D+00  1.21D+00
                    CP:  1.13D+00
 E= -465.639109701243     Delta-E=       -0.000000244484 Rises=F Damp=F
 DIIS: error= 4.07D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -465.639109701243     IErMin= 7 ErrMin= 4.07D-06
 ErrMax= 4.07D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.72D-08 BMatP= 1.17D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.629D-04 0.487D-02-0.105D-01-0.371D-01-0.408D-01 0.308D+00
 Coeff-Com:  0.775D+00
 Coeff:      0.629D-04 0.487D-02-0.105D-01-0.371D-01-0.408D-01 0.308D+00
 Coeff:      0.775D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=5.83D-06 MaxDP=5.54D-04 DE=-2.44D-07 OVMax= 9.21D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.01D-06    CP:  1.72D+00  1.18D+00  1.16D+00  1.08D+00  1.22D+00
                    CP:  1.15D+00  1.11D+00
 E= -465.639109745859     Delta-E=       -0.000000044616 Rises=F Damp=F
 DIIS: error= 1.45D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -465.639109745859     IErMin= 8 ErrMin= 1.45D-06
 ErrMax= 1.45D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.87D-09 BMatP= 2.72D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.122D-03 0.247D-02-0.627D-03-0.844D-02-0.308D-01-0.311D-01
 Coeff-Com:  0.145D+00 0.923D+00
 Coeff:     -0.122D-03 0.247D-02-0.627D-03-0.844D-02-0.308D-01-0.311D-01
 Coeff:      0.145D+00 0.923D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=1.97D-06 MaxDP=1.19D-04 DE=-4.46D-08 OVMax= 5.79D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.25D-06    CP:  1.72D+00  1.18D+00  1.16D+00  1.08D+00  1.22D+00
                    CP:  1.16D+00  1.20D+00  1.29D+00
 E= -465.639109751356     Delta-E=       -0.000000005497 Rises=F Damp=F
 DIIS: error= 5.58D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -465.639109751356     IErMin= 9 ErrMin= 5.58D-07
 ErrMax= 5.58D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.24D-10 BMatP= 1.87D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.483D-04 0.311D-03 0.108D-02 0.122D-02-0.639D-02-0.447D-01
 Coeff-Com: -0.579D-01 0.345D+00 0.761D+00
 Coeff:     -0.483D-04 0.311D-03 0.108D-02 0.122D-02-0.639D-02-0.447D-01
 Coeff:     -0.579D-01 0.345D+00 0.761D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=1.18D-06 MaxDP=1.47D-04 DE=-5.50D-09 OVMax= 1.34D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.39D-07    CP:  1.72D+00  1.18D+00  1.16D+00  1.08D+00  1.22D+00
                    CP:  1.15D+00  1.22D+00  1.41D+00  1.15D+00
 E= -465.639109752205     Delta-E=       -0.000000000849 Rises=F Damp=F
 DIIS: error= 1.79D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -465.639109752205     IErMin=10 ErrMin= 1.79D-07
 ErrMax= 1.79D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.86D-11 BMatP= 5.24D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.924D-05-0.354D-03 0.392D-03 0.167D-02 0.409D-02-0.108D-02
 Coeff-Com: -0.444D-01-0.574D-01 0.104D+00 0.993D+00
 Coeff:      0.924D-05-0.354D-03 0.392D-03 0.167D-02 0.409D-02-0.108D-02
 Coeff:     -0.444D-01-0.574D-01 0.104D+00 0.993D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=6.44D-07 MaxDP=8.77D-05 DE=-8.49D-10 OVMax= 7.05D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.85D-07    CP:  1.72D+00  1.18D+00  1.16D+00  1.08D+00  1.21D+00
                    CP:  1.15D+00  1.22D+00  1.45D+00  1.28D+00  1.37D+00
 E= -465.639109752219     Delta-E=       -0.000000000014 Rises=F Damp=F
 DIIS: error= 4.70D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -465.639109752219     IErMin=11 ErrMin= 4.70D-08
 ErrMax= 4.70D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.94D-12 BMatP= 3.86D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.593D-05-0.927D-04-0.221D-04 0.164D-03 0.131D-02 0.421D-02
 Coeff-Com: -0.644D-02-0.342D-01-0.623D-01 0.197D+00 0.901D+00
 Coeff:      0.593D-05-0.927D-04-0.221D-04 0.164D-03 0.131D-02 0.421D-02
 Coeff:     -0.644D-02-0.342D-01-0.623D-01 0.197D+00 0.901D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=1.11D-07 MaxDP=9.89D-06 DE=-1.39D-11 OVMax= 1.36D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  6.50D-08    CP:  1.72D+00  1.18D+00  1.16D+00  1.08D+00  1.21D+00
                    CP:  1.15D+00  1.22D+00  1.45D+00  1.30D+00  1.47D+00
                    CP:  1.22D+00
 E= -465.639109752312     Delta-E=       -0.000000000093 Rises=F Damp=F
 DIIS: error= 1.21D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -465.639109752312     IErMin=12 ErrMin= 1.21D-08
 ErrMax= 1.21D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.08D-13 BMatP= 4.94D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.275D-06 0.307D-04-0.516D-04-0.191D-03-0.276D-03 0.106D-02
 Coeff-Com:  0.364D-02 0.374D-02-0.261D-01-0.858D-01 0.148D+00 0.956D+00
 Coeff:     -0.275D-06 0.307D-04-0.516D-04-0.191D-03-0.276D-03 0.106D-02
 Coeff:      0.364D-02 0.374D-02-0.261D-01-0.858D-01 0.148D+00 0.956D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=4.42D-08 MaxDP=5.33D-06 DE=-9.32D-11 OVMax= 4.86D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.73D-08    CP:  1.72D+00  1.18D+00  1.16D+00  1.08D+00  1.21D+00
                    CP:  1.15D+00  1.22D+00  1.46D+00  1.31D+00  1.50D+00
                    CP:  1.33D+00  1.28D+00
 E= -465.639109752275     Delta-E=        0.000000000037 Rises=F Damp=F
 DIIS: error= 5.82D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -465.639109752312     IErMin=13 ErrMin= 5.82D-09
 ErrMax= 5.82D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.23D-14 BMatP= 4.08D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.538D-06 0.147D-04-0.998D-05-0.616D-04-0.161D-03-0.512D-04
 Coeff-Com:  0.127D-02 0.371D-02-0.200D-02-0.348D-01-0.391D-01 0.228D+00
 Coeff-Com:  0.843D+00
 Coeff:     -0.538D-06 0.147D-04-0.998D-05-0.616D-04-0.161D-03-0.512D-04
 Coeff:      0.127D-02 0.371D-02-0.200D-02-0.348D-01-0.391D-01 0.228D+00
 Coeff:      0.843D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=1.11D-08 MaxDP=1.46D-06 DE= 3.66D-11 OVMax= 1.64D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  4.32D-09    CP:  1.72D+00  1.18D+00  1.16D+00  1.08D+00  1.21D+00
                    CP:  1.15D+00  1.22D+00  1.46D+00  1.31D+00  1.50D+00
                    CP:  1.36D+00  1.38D+00  1.13D+00
 E= -465.639109752289     Delta-E=       -0.000000000014 Rises=F Damp=F
 DIIS: error= 2.09D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=12 EnMin= -465.639109752312     IErMin=14 ErrMin= 2.09D-09
 ErrMax= 2.09D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.21D-15 BMatP= 4.23D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.613D-07-0.790D-06 0.397D-05 0.834D-05 0.372D-05-0.126D-03
 Coeff-Com: -0.198D-03 0.263D-03 0.250D-02 0.396D-02-0.256D-01-0.700D-01
 Coeff-Com:  0.161D+00 0.928D+00
 Coeff:     -0.613D-07-0.790D-06 0.397D-05 0.834D-05 0.372D-05-0.126D-03
 Coeff:     -0.198D-03 0.263D-03 0.250D-02 0.396D-02-0.256D-01-0.700D-01
 Coeff:      0.161D+00 0.928D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=3.50D-09 MaxDP=4.44D-07 DE=-1.39D-11 OVMax= 9.31D-08

 SCF Done:  E(RM11) =  -465.639109752     A.U. after   14 cycles
            NFock= 14  Conv=0.35D-08     -V/T= 2.0067
 KE= 4.625413905144D+02 PE=-2.304392634190D+03 EE= 7.643863275367D+02
 Leave Link  502 at Thu Aug 12 21:26:40 2021, MaxMem=  5368709120 cpu:            6268.3 elap:             783.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   397
 NBasis=   397 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    397 NOA=    42 NOB=    42 NVA=   355 NVB=   355

 **** Warning!!: The largest alpha MO coefficient is  0.84570858D+02

 Leave Link  801 at Thu Aug 12 21:26:41 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8355 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.49D-13 8.33D-09 XBig12= 1.00D+00 3.86D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.49D-13 8.33D-09 XBig12= 1.44D-01 4.61D-02.
     11 vectors produced by pass  2 Test12= 2.49D-13 8.33D-09 XBig12= 2.04D-02 5.13D-02.
     11 vectors produced by pass  3 Test12= 2.49D-13 8.33D-09 XBig12= 2.44D-03 1.11D-02.
     11 vectors produced by pass  4 Test12= 2.49D-13 8.33D-09 XBig12= 2.11D-04 2.13D-03.
     11 vectors produced by pass  5 Test12= 2.49D-13 8.33D-09 XBig12= 1.29D-05 5.88D-04.
     11 vectors produced by pass  6 Test12= 2.49D-13 8.33D-09 XBig12= 4.76D-07 9.02D-05.
     11 vectors produced by pass  7 Test12= 2.49D-13 8.33D-09 XBig12= 1.65D-08 1.75D-05.
     11 vectors produced by pass  8 Test12= 2.49D-13 8.33D-09 XBig12= 5.43D-10 2.72D-06.
     11 vectors produced by pass  9 Test12= 2.49D-13 8.33D-09 XBig12= 1.31D-11 4.70D-07.
      8 vectors produced by pass 10 Test12= 2.49D-13 8.33D-09 XBig12= 2.71D-13 4.79D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 7.11D-14
 Solved reduced A of dimension   118 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.166889D+03
      2 -0.611402D+01  0.121770D+03
      3  0.651786D+01 -0.302552D+01  0.104102D+03
 Isotropic polarizability for W=    0.085645      130.92 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.512285D+02 -0.177819D+02  0.363790D+02
      2  -0.881859D+01  0.192558D+02 -0.178396D+02
      3  -0.424099D+02 -0.147386D+01 -0.185394D+02
      4   0.905927D+00 -0.373708D+02 -0.340526D+02
      5   0.319696D+02 -0.321948D+02 -0.914053D+02
      6  -0.106554D+02 -0.478869D+01  0.263417D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.264939D+01 -0.187582D+01 -0.112836D+02
      2   0.408952D+02 -0.142312D+02 -0.367187D+02
      3   0.360114D+00  0.214020D+02  0.121227D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.185778D+01  0.130509D+02 -0.278156D+02
      2   0.440943D+01 -0.233972D+02 -0.489954D+02
      3   0.186878D+02  0.285522D+02  0.215394D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.589836D+00 -0.757231D+01  0.158991D+01
      2  -0.757231D+01  0.153673D+01  0.127378D+01
      3   0.158991D+01  0.127378D+01 -0.406061D+00
 OR G Eigenvalues:    -7.7383     0.1583     8.1209  Iso=    -0.1803
 Eigenvectors:
   (1)   0.728069   0.631149  -0.267518
   (2)   0.195389   0.182996   0.963502
   (3)  -0.657068   0.753766  -0.009915
 w=    0.085645 a.u., Optical Rotation Beta=     -0.1803 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =      -56.16 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   79003 ScalPx= 3.17D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 8.90D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.14D-14 2.78D-09 XBig12= 1.00D+00 3.83D-01.
     30 vectors produced by pass  1 Test12= 4.14D-14 2.78D-09 XBig12= 1.94D-02 3.90D-02.
     30 vectors produced by pass  2 Test12= 4.14D-14 2.78D-09 XBig12= 2.59D-03 9.40D-03.
     30 vectors produced by pass  3 Test12= 4.14D-14 2.78D-09 XBig12= 4.57D-05 8.68D-04.
     30 vectors produced by pass  4 Test12= 4.14D-14 2.78D-09 XBig12= 8.36D-07 1.04D-04.
     30 vectors produced by pass  5 Test12= 4.14D-14 2.78D-09 XBig12= 1.38D-08 1.23D-05.
     30 vectors produced by pass  6 Test12= 4.14D-14 2.78D-09 XBig12= 1.70D-10 1.35D-06.
     30 vectors produced by pass  7 Test12= 4.14D-14 2.78D-09 XBig12= 1.81D-12 1.08D-07.
     20 vectors produced by pass  8 Test12= 4.14D-14 2.78D-09 XBig12= 1.93D-14 9.61D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   260 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 7.79D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 7.79D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 6.33D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.166889D+03 -0.611402D+01  0.651786D+01
      2  -0.611402D+01  0.121770D+03 -0.302552D+01
      3   0.651786D+01 -0.302552D+01  0.104102D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.264939D+01 -0.187582D+01 -0.112836D+02
      2   0.408952D+02 -0.142312D+02 -0.367187D+02
      3   0.360114D+00  0.214020D+02  0.121227D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.512285D+02 -0.177819D+02  0.363790D+02
      2  -0.881859D+01  0.192558D+02 -0.178396D+02
      3  -0.424099D+02 -0.147386D+01 -0.185394D+02
      4   0.905927D+00 -0.373708D+02 -0.340526D+02
      5   0.319696D+02 -0.321948D+02 -0.914053D+02
      6  -0.106554D+02 -0.478869D+01  0.263417D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.311593D+01 -0.203603D+01 -0.412931D+01 -0.138321D+01 -0.393570D+01
      2  -0.203603D+01 -0.379065D+01  0.221442D+01 -0.393570D+01 -0.186589D+01
      3  -0.412931D+01  0.221442D+01  0.363674D+01  0.228620D+01 -0.195150D+01
                 6             7             8             9            10 
      1   0.228620D+01 -0.354676D+01  0.274225D+01  0.344751D+01 -0.198120D+02
      2  -0.195150D+01  0.274225D+01 -0.131043D+01  0.778018D+00  0.438254D+01
      3   0.156443D+01  0.344751D+01  0.778018D+00  0.843800D+00  0.319293D+01
                11            12            13            14            15 
      1   0.438254D+01  0.319293D+01  0.109318D+02  0.203088D+01 -0.264261D+01
      2   0.270421D+01 -0.224699D+01  0.203088D+01  0.462365D+01  0.145398D+01
      3  -0.224699D+01 -0.350632D+01 -0.264261D+01  0.145398D+01 -0.936319D+00
                16            17            18            19            20 
      1   0.126824D+02 -0.389312D+01 -0.535189D+01  0.334519D+02 -0.506556D+01
      2  -0.389312D+01  0.259599D+01 -0.349278D+00 -0.506556D+01  0.281014D+01
      3  -0.535189D+01 -0.349278D+00 -0.282011D+01  0.604489D+00  0.861085D+00
                21            22            23            24            25 
      1   0.604489D+00 -0.933605D+01  0.338275D+01  0.188752D+01 -0.464623D+01
      2   0.861085D+00  0.338275D+01  0.187123D+01 -0.187252D+01  0.214586D+01
      3   0.296681D+01  0.188752D+01 -0.187252D+01 -0.225455D+01  0.647687D+01
                26            27            28            29            30 
      1   0.214586D+01  0.647687D+01 -0.494579D+02  0.578918D+01 -0.463644D+01
      2  -0.283841D+01 -0.191956D+01  0.578918D+01 -0.249209D+01 -0.129316D+00
      3  -0.191956D+01  0.540151D+01 -0.463644D+01 -0.129316D+00 -0.282921D+01
                31            32            33            34            35 
      1   0.144776D+02 -0.466219D+01  0.102847D+01 -0.136950D+02  0.491756D+00
      2  -0.466219D+01 -0.218038D+01  0.128844D+01  0.491756D+00  0.107115D+01
      3   0.102847D+01  0.128844D+01  0.185051D+01 -0.644326D+01  0.996699D+00
                36            37            38            39            40 
      1  -0.644326D+01  0.496199D+02 -0.777855D+01  0.661525D+01 -0.111331D+02
      2   0.996699D+00 -0.777855D+01  0.111937D+01 -0.417288D+00  0.381754D+01
      3  -0.500627D+01  0.661525D+01 -0.417288D+00  0.284701D+01 -0.438812D+00
                41            42            43            44            45 
      1   0.381754D+01 -0.438812D+00  0.142904D+02 -0.126940D+01  0.574864D+01
      2   0.278803D+01 -0.169820D+01 -0.126940D+01 -0.180229D+01 -0.125510D+01
      3  -0.169820D+01 -0.215426D+01  0.574864D+01 -0.125510D+01  0.277178D+01
                46            47            48            49            50 
      1  -0.351616D+02  0.780556D+01 -0.707072D+01  0.629943D+01 -0.411057D+01
      2   0.780556D+01 -0.114441D+01  0.193053D+01 -0.411057D+01 -0.239316D+01
      3  -0.707072D+01  0.193053D+01 -0.587179D+00  0.250550D+01  0.458789D-01
                51            52            53            54            55 
      1   0.250550D+01 -0.913085D+01  0.299240D+01 -0.199847D+01  0.285674D+02
      2   0.458789D-01  0.299240D+01  0.514217D+00  0.822744D+00 -0.688166D+01
      3   0.867527D+00 -0.199847D+01  0.822744D+00 -0.718495D+00  0.518178D+01
                56            57            58            59            60 
      1  -0.688166D+01  0.518178D+01 -0.191536D+02  0.719536D+01 -0.367417D+01
      2   0.262654D+01 -0.129148D+01  0.719536D+01 -0.522779D+01  0.184345D+01
      3  -0.129148D+01  0.178176D+01 -0.367417D+01  0.184345D+01 -0.165387D+01
                61            62            63            64            65 
      1   0.987479D+01 -0.201414D+01  0.574424D+01  0.591353D+01 -0.281262D+01
      2  -0.201414D+01  0.838115D+00 -0.263087D+01 -0.281262D+01 -0.333951D+01
      3   0.574424D+01 -0.263087D+01  0.347176D+01 -0.225110D+01  0.279060D+01
                66            67            68            69            70 
      1  -0.225110D+01 -0.209472D+01 -0.276601D+01  0.308098D+01 -0.422423D+01
      2   0.279060D+01 -0.276601D+01 -0.332140D+01 -0.505010D+00  0.312160D+01
      3   0.285425D+01  0.308098D+01 -0.505010D+00  0.178000D+01  0.396046D+01
                71            72            73            74            75 
      1   0.312160D+01  0.396046D+01  0.252901D+01  0.209579D+01  0.163139D+01
      2  -0.106796D+01  0.682177D+00  0.209579D+01 -0.254849D+01 -0.902467D+00
      3   0.682177D+00  0.449492D+01  0.163139D+01 -0.902467D+00  0.314512D+01
                76            77            78            79            80 
      1   0.313217D+01 -0.303613D+01 -0.192403D+01 -0.642523D-01 -0.131084D+01
      2  -0.303613D+01 -0.581437D+01 -0.406632D+00 -0.131084D+01 -0.102249D+01
      3  -0.192403D+01 -0.406632D+00  0.143825D+01  0.524606D+01  0.217862D+01
                81            82            83            84            85 
      1   0.524606D+01  0.312233D+01 -0.243060D+01 -0.220291D+01 -0.307808D+01
      2   0.217862D+01 -0.243060D+01 -0.162217D+01  0.180458D+01 -0.229500D+01
      3  -0.143115D+01 -0.220291D+01  0.180458D+01 -0.908682D+00  0.151806D+01
                86            87            88            89            90 
      1  -0.229500D+01  0.151806D+01 -0.179842D+01  0.211513D+01 -0.133433D+01
      2   0.124168D+01  0.301985D+01  0.211513D+01  0.435722D+01  0.280911D+01
      3   0.301985D+01  0.228116D+01 -0.133433D+01  0.280911D+01 -0.419774D+00
                91            92            93            94            95 
      1  -0.849155D+01 -0.208708D+01 -0.216592D+01  0.694873D+00  0.385370D+01
      2  -0.208708D+01  0.317343D+01 -0.710460D-02  0.385370D+01  0.148570D+01
      3  -0.216592D+01 -0.710460D-02  0.179015D+01 -0.709404D-01 -0.137207D+01
                96            97            98            99           100 
      1  -0.709404D-01 -0.327289D+01 -0.258490D+00  0.694910D+00 -0.678767D+01
      2  -0.137207D+01 -0.258490D+00 -0.143947D+01 -0.263735D+01 -0.165056D+01
      3  -0.194656D+01  0.694910D+00 -0.263735D+01  0.392293D+01 -0.286157D+01
               101           102           103           104           105 
      1  -0.165056D+01 -0.286157D+01 -0.524695D+00 -0.985440D+00 -0.160473D+00
      2  -0.124252D+01 -0.502914D+00 -0.985440D+00 -0.216667D+00 -0.615507D+00
      3  -0.502914D+00 -0.227371D+01 -0.160473D+00 -0.615507D+00 -0.386079D+00
               106           107           108           109           110 
      1  -0.487624D+01 -0.772775D+00 -0.326715D+01 -0.330248D+01 -0.166730D+01
      2  -0.772775D+00 -0.136301D+01 -0.107860D+01 -0.166730D+01 -0.807247D+00
      3  -0.326715D+01 -0.107860D+01 -0.284239D+01  0.197680D+01  0.882444D+00
               111           112           113           114           115 
      1   0.197680D+01 -0.106124D+01 -0.138770D+01  0.108542D+01  0.435562D+01
      2   0.882444D+00 -0.138770D+01 -0.143692D+01  0.142159D+01  0.191730D+01
      3  -0.206425D+01  0.108542D+01  0.142159D+01 -0.139246D+01 -0.415909D+01
               116           117           118           119           120 
      1   0.191730D+01 -0.415909D+01 -0.468716D+01  0.107101D+01 -0.187356D+01
      2   0.235123D+01 -0.218118D+01  0.107101D+01 -0.581432D+00  0.611536D-01
      3  -0.218118D+01  0.543381D+01 -0.187356D+01  0.611536D-01 -0.178670D+01
               121           122           123           124           125 
      1   0.433583D+01 -0.118969D+01  0.164976D+00 -0.326491D+01 -0.621362D-01
      2  -0.118969D+01  0.269486D+00 -0.104832D+01 -0.621362D-01 -0.108800D+01
      3   0.164976D+00 -0.104832D+01  0.113928D+01 -0.329235D+01  0.104167D+01
               126           127           128           129           130 
      1  -0.329235D+01  0.192716D+01 -0.356496D+00  0.107890D+01 -0.372854D+00
      2   0.104167D+01 -0.356496D+00  0.149217D+01 -0.777129D+00  0.937210D+00
      3  -0.878778D+01  0.107890D+01 -0.777129D+00  0.126024D+01 -0.542948D+00
               131           132           133           134           135 
      1   0.937210D+00 -0.542948D+00  0.179422D+01 -0.689625D+00  0.978363D+00
      2  -0.239123D+01  0.898768D+00 -0.689625D+00  0.185817D+01 -0.181699D+01
      3   0.898768D+00 -0.121754D+01  0.978363D+00 -0.181699D+01  0.299947D+01
               136           137           138           139           140 
      1  -0.754230D+00 -0.104061D+01 -0.488461D+00 -0.368209D+00 -0.376068D+00
      2  -0.104061D+01 -0.143145D+00 -0.203072D+00 -0.376068D+00 -0.738100D+01
      3  -0.488461D+00 -0.203072D+00  0.244115D-01 -0.234019D+00 -0.350298D+01
               141           142           143           144           145 
      1  -0.234019D+00 -0.104872D+01 -0.481995D+00  0.104074D+00  0.229777D+01
      2  -0.350298D+01 -0.481995D+00 -0.498201D+01 -0.362826D+01  0.212333D+01
      3  -0.245314D+01  0.104074D+00 -0.362826D+01 -0.338916D+01  0.751398D+00
               146           147           148           149           150 
      1   0.212333D+01  0.751398D+00  0.204797D+01  0.238835D+01  0.149595D+00
      2   0.279211D+01  0.486201D+00  0.238835D+01  0.564172D+01  0.145584D+01
      3   0.486201D+00  0.708311D+00  0.149595D+00  0.145584D+01  0.145899D+01
               151           152           153           154           155 
      1   0.641624D-01 -0.156179D+00  0.214830D+00  0.183776D+01 -0.864323D+00
      2  -0.156179D+00  0.215525D+00  0.753691D+00 -0.864323D+00  0.150153D+01
      3   0.214830D+00  0.753691D+00  0.368021D+00  0.143096D+01 -0.703606D+00
               156           157           158           159           160 
      1   0.143096D+01 -0.137180D+01  0.143188D+01 -0.868406D+00  0.123052D+01
      2  -0.703606D+00  0.143188D+01 -0.245074D+01  0.132901D+01 -0.739180D+00
      3   0.130754D+01 -0.868406D+00  0.132901D+01 -0.253416D+01  0.661757D+00
               161           162           163           164           165 
      1  -0.739180D+00  0.661757D+00 -0.545673D+01  0.162955D+01  0.377461D+01
      2   0.118341D+01 -0.126119D+01  0.162955D+01 -0.117906D+01 -0.149402D+01
      3  -0.126119D+01  0.268356D+01  0.377461D+01 -0.149402D+01 -0.428432D+01
               166           167           168           169           170 
      1   0.816817D+00 -0.755093D+00 -0.886605D+00  0.255949D+01 -0.108425D+01
      2  -0.755093D+00  0.125199D+01  0.136437D+01 -0.108425D+01  0.109030D+01
      3  -0.886605D+00  0.136437D+01  0.874967D+00 -0.325536D+01  0.129824D+01
               171           172           173           174           175 
      1  -0.325536D+01 -0.250798D+01  0.296876D+00 -0.174365D+01 -0.857183D+00
      2   0.129824D+01  0.296876D+00 -0.576521D-01 -0.198700D+00  0.718139D-01
      3   0.471330D+01 -0.174365D+01 -0.198700D+00 -0.223169D+01 -0.796079D+00
               176           177           178           179           180 
      1   0.718139D-01 -0.796079D+00 -0.237585D+01  0.139061D+00 -0.327543D+01
      2  -0.426977D+00 -0.824338D+00  0.139061D+00 -0.137883D+01  0.142806D+00
      3  -0.824338D+00 -0.138369D+01 -0.327543D+01  0.142806D+00 -0.711585D+01
               181           182           183           184           185 
      1   0.136652D+01  0.150899D+01  0.259950D-01  0.166528D+01  0.107373D+01
      2   0.150899D+01  0.370879D+01 -0.838342D+00  0.107373D+01  0.793014D+01
      3   0.259950D-01 -0.838342D+00  0.613816D+00 -0.314164D+00 -0.118001D+01
               186           187           188           189           190 
      1  -0.314164D+00  0.337281D+00 -0.500338D+00 -0.980915D-01 -0.818381D+01
      2  -0.118001D+01 -0.500338D+00 -0.682138D+00  0.115478D+01  0.343634D+01
      3   0.105649D+01 -0.980915D-01  0.115478D+01 -0.906466D+00  0.206718D+01
               191           192           193           194           195 
      1   0.343634D+01  0.206718D+01  0.175847D+01 -0.178467D+01 -0.844269D+00
      2  -0.202151D+01 -0.904993D+00 -0.178467D+01  0.211208D+01  0.689222D+00
      3  -0.904993D+00 -0.187846D+01 -0.844269D+00  0.689222D+00  0.343976D+00
               196           197           198           199           200 
      1   0.457924D+01 -0.209980D+01 -0.238060D+01 -0.458476D+00  0.138874D+01
      2  -0.209980D+01  0.195572D+01  0.885394D+00  0.138874D+01  0.817582D+00
      3  -0.238060D+01  0.885394D+00  0.161885D+01 -0.687136D+00 -0.162119D+00
               201           202           203           204           205 
      1  -0.687136D+00  0.170492D+01  0.104999D+01 -0.483992D-01 -0.185026D+01
      2  -0.162119D+00  0.104999D+01  0.594811D+01 -0.175895D+01  0.297463D+00
      3  -0.706751D-01 -0.483992D-01 -0.175895D+01  0.122201D+01  0.835294D+00
               206           207           208           209           210 
      1   0.297463D+00  0.835294D+00  0.453201D+00 -0.108635D+01  0.407158D+00
      2  -0.146421D+01  0.907202D+00 -0.108635D+01 -0.200693D+00 -0.184493D-01
      3   0.907202D+00 -0.543359D+00  0.407158D+00 -0.184493D-01  0.140010D+00
               211           212           213           214           215 
      1  -0.198157D+01 -0.418322D+00 -0.522202D-01  0.633913D+00 -0.103956D+00
      2  -0.418322D+00 -0.670859D+01  0.110049D+01 -0.103956D+00  0.154638D+01
      3  -0.522202D-01  0.110049D+01 -0.104131D+01 -0.340612D+00 -0.768324D+00
               216           217           218           219           220 
      1  -0.340612D+00  0.124611D+01  0.381032D+00 -0.554920D+00  0.111823D+01
      2  -0.768324D+00  0.381032D+00 -0.903631D+00  0.171611D+00 -0.982673D-02
      3   0.375654D+00 -0.554920D+00  0.171611D+00 -0.630249D+00  0.255738D-01
               221           222           223           224           225 
      1  -0.982673D-02  0.255738D-01 -0.182347D+01 -0.881200D+00  0.535819D+00
      2   0.141021D+01 -0.113418D+01 -0.881200D+00 -0.231895D+01  0.238871D+01
      3  -0.113418D+01  0.144023D+01  0.535819D+00  0.238871D+01 -0.693447D+01
               226           227           228           229           230 
      1   0.103072D+02  0.298380D+01  0.771230D+00  0.148862D+01  0.119436D+01
      2   0.298380D+01  0.188453D+01  0.194464D+00  0.119436D+01  0.764691D+00
      3   0.771230D+00  0.194464D+00  0.118197D+01  0.175418D+00  0.363891D+00
               231           232           233           234           235 
      1   0.175418D+00  0.157015D+01  0.524954D+00  0.118901D+01 -0.694165D+00
      2   0.363891D+00  0.524954D+00  0.664343D+00  0.689676D+00  0.865003D+00
      3   0.358749D+00  0.118901D+01  0.689676D+00  0.175384D+00  0.115562D+01
               236           237           238           239           240 
      1   0.865003D+00  0.115562D+01  0.224436D+01 -0.715159D+00 -0.409586D+00
      2  -0.255617D+01 -0.599098D+00 -0.715159D+00  0.447640D+01  0.159544D+01
      3  -0.599098D+00 -0.120669D+01 -0.409586D+00  0.159544D+01  0.167738D+01
               241           242           243 
      1   0.164586D+01 -0.170367D+00 -0.641195D+00
      2  -0.170367D+00  0.251641D+01  0.199718D+01
      3  -0.641195D+00  0.199718D+01  0.164054D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.994999D+00 -0.112194D+02  0.186569D+01 -0.117282D+02 -0.297243D+01
      2   0.723873D+01  0.953623D+00  0.551494D+01 -0.437958D+00  0.123433D+02
      3  -0.223088D+01 -0.111388D+02 -0.964898D+00 -0.639117D+01 -0.768053D+01
                 6             7             8             9            10 
      1  -0.891150D+01  0.198757D+01 -0.207115D+01  0.306963D+01 -0.825145D+01
      2  -0.770580D+01 -0.138097D+01 -0.598005D+01 -0.769797D+01 -0.239872D+02
      3  -0.222852D+00  0.117177D+01  0.201947D+00  0.432096D+01  0.393935D+01
                11            12            13            14            15 
      1   0.610157D+01  0.259070D+01  0.714181D+01 -0.725537D+00 -0.400894D+01
      2   0.807947D+01  0.123912D+02  0.147425D+02 -0.692247D+01  0.252056D+01
      3   0.656332D+01 -0.171859D+01  0.151557D+02  0.154200D+02  0.161020D+01
                16            17            18            19            20 
      1   0.449616D+01  0.572512D+01  0.910682D+00  0.114159D+02 -0.447177D+01
      2   0.141644D+02  0.128188D+01  0.410961D+01  0.252602D+02 -0.605362D+01
      3  -0.299765D+01  0.547766D+00 -0.420951D+01 -0.298349D+01 -0.477843D+01
                21            22            23            24            25 
      1  -0.245464D+01 -0.629174D+01 -0.534716D+01 -0.645192D+00 -0.762121D+01
      2   0.835671D+00 -0.117230D+02  0.550761D+01  0.414048D+01 -0.181852D+02
      3  -0.902292D+00  0.803332D+01 -0.188525D+01 -0.569259D+00 -0.265033D+01
                26            27            28            29            30 
      1   0.509713D+01  0.313456D+01 -0.114623D+02  0.170593D+01  0.114626D+01
      2   0.405877D+01  0.287209D+01 -0.293125D+02  0.295026D+01 -0.787478D+01
      3  -0.832989D+00 -0.189648D+01  0.351718D+01  0.241167D+01  0.222355D+01
                31            32            33            34            35 
      1   0.337608D+01  0.335287D+01 -0.202709D+01  0.595497D+01  0.292616D+01
      2   0.831658D+01 -0.310847D+01  0.192385D+01 -0.405865D+02  0.311213D+01
      3   0.181234D+02 -0.722620D+00  0.858800D+00  0.695067D+01  0.147024D+01
                36            37            38            39            40 
      1  -0.912817D+00  0.930649D+01 -0.153393D+01 -0.251668D+01 -0.788285D+01
      2  -0.106567D+02  0.364013D+02 -0.418646D+01  0.132333D+02 -0.639590D+01
      3   0.736314D+00  0.444784D+01 -0.623499D+01 -0.157751D+01  0.894455D+01
                41            42            43            44            45 
      1   0.590797D-01 -0.240041D+01 -0.611766D+01  0.458192D+00 -0.644831D+00
      2  -0.825025D+00  0.350960D+00  0.133983D+02 -0.345107D+00  0.732327D+01
      3  -0.121587D+02  0.461253D+01 -0.437575D+01  0.299780D+01  0.226506D+00
                46            47            48            49            50 
      1  -0.874678D+01 -0.134723D+01  0.940510D+01 -0.107723D+01  0.696443D+01
      2  -0.204640D+02  0.428281D+01 -0.174026D+02  0.221836D+01 -0.147405D+01
      3  -0.112548D+02  0.686486D+01  0.301550D+01  0.205118D+02  0.701701D+01
                51            52            53            54            55 
      1   0.449456D+01  0.582306D+01  0.166218D+02 -0.324059D+01  0.455981D+01
      2   0.243052D+01 -0.265344D+02 -0.254153D+01 -0.750872D+01  0.160817D+02
      3   0.231059D+01  0.545423D+00  0.441683D+01 -0.141314D+01  0.685768D+01
                56            57            58            59            60 
      1   0.138599D+01 -0.235622D+01 -0.180646D+01 -0.244920D+01 -0.465707D+01
      2  -0.388358D+01  0.176704D+02 -0.105474D+02  0.599463D+01 -0.111284D+02
      3  -0.158741D+02  0.448396D-01 -0.953288D+01  0.169126D+02 -0.369978D+01
                61            62            63            64            65 
      1   0.851778D+00 -0.147780D+01  0.187637D+01  0.626000D+01 -0.399228D+01
      2   0.145612D+02 -0.486009D+01  0.133057D+02  0.104330D+02 -0.111878D+02
      3   0.672464D+00 -0.676179D+01  0.485388D+01  0.539972D+00 -0.198637D+02
                66            67            68            69            70 
      1  -0.810040D+01 -0.424230D+01  0.410001D+01 -0.421292D+01 -0.116078D+02
      2  -0.878027D+01 -0.103951D+02  0.123001D+00 -0.306712D+01 -0.175213D+02
      3   0.570307D+01 -0.920998D+01 -0.191207D+02  0.414230D+01  0.466368D+01
                71            72            73            74            75 
      1   0.235035D+01 -0.973106D+01  0.447179D+01 -0.379263D+01  0.404226D+01
      2   0.764674D+00 -0.120301D+02 -0.305693D+01  0.210601D+01 -0.964983D+01
      3   0.391545D+01  0.941269D+01  0.823612D+01 -0.173644D+02 -0.799979D+01
                76            77            78            79            80 
      1  -0.318153D+01 -0.328601D+01  0.262876D+00  0.740158D+01  0.605790D+01
      2   0.577926D+01  0.200704D+01 -0.551773D+01 -0.235298D+02 -0.857362D+01
      3  -0.103611D+02 -0.156353D+02  0.328107D+00 -0.874003D+01  0.105544D+01
                81            82            83            84            85 
      1  -0.180026D+01 -0.446567D+01  0.672403D+01 -0.292507D+01  0.908724D+01
      2   0.574490D+01  0.428979D+01 -0.334399D+01  0.279864D+01 -0.517787D+01
      3   0.152701D+01 -0.114295D+02  0.382279D+00  0.880171D+01  0.866029D+01
                86            87            88            89            90 
      1   0.998652D+01  0.173904D+01 -0.226299D+01  0.950238D+01 -0.145772D+01
      2  -0.420046D+01 -0.128847D+01 -0.104385D+01 -0.618499D+00  0.214535D+00
      3   0.575460D+01 -0.143876D+01  0.110119D+02 -0.907831D+00  0.734215D+01
                91            92            93            94            95 
      1   0.368467D+01 -0.269554D+01 -0.611943D+01  0.273286D+00  0.272270D+01
      2  -0.101406D+02 -0.172015D+00  0.905121D+01  0.296570D+00 -0.374777D+01
      3  -0.167696D+01 -0.196752D+02 -0.410267D+01 -0.109252D+02 -0.533981D+00
                96            97            98            99           100 
      1  -0.914065D+00  0.225787D+01  0.110610D+02 -0.730260D+01 -0.369674D+01
      2  -0.494966D+01 -0.149496D+01 -0.102592D+02  0.143947D+02  0.857531D+01
      3   0.508918D+01 -0.293819D+01  0.709394D+01  0.129063D+02  0.413657D+01
               101           102           103           104           105 
      1   0.398603D+00 -0.347270D+01 -0.865292D-01 -0.640951D+00 -0.144881D+01
      2   0.126477D+01  0.958352D+01  0.738328D+00  0.167793D+01  0.142872D+01
      3  -0.382968D+01  0.218828D+01 -0.278964D+00  0.102109D+01 -0.176487D+01
               106           107           108           109           110 
      1  -0.403816D+01  0.440624D+00 -0.409789D+01  0.227861D+01  0.901730D-01
      2   0.785246D+01  0.292143D+01  0.969204D+01 -0.393890D+01 -0.253003D+01
      3   0.388620D+01 -0.491570D+01  0.848809D+00  0.277218D+00 -0.225590D+01
               111           112           113           114           115 
      1  -0.299182D+01  0.187016D+01  0.103273D+01 -0.265283D+01 -0.468669D+01
      2   0.779458D+01 -0.222493D+01 -0.458805D+01  0.479175D+01  0.101370D+02
      3   0.351240D+00 -0.209892D+00 -0.301773D+01  0.282110D+01  0.462133D+00
               116           117           118           119           120 
      1   0.774101D+00  0.767018D+01 -0.196137D+01  0.157492D+01 -0.460585D+00
      2   0.646794D+01 -0.178740D+02 -0.320437D+01  0.136666D+01  0.117011D+01
      3   0.683202D+01 -0.172132D+01  0.778539D+00 -0.193038D+01  0.644358D+00
               121           122           123           124           125 
      1   0.232275D+01 -0.224238D+00  0.687703D+00  0.184220D+01  0.401777D+01
      2   0.494487D+01 -0.695046D+00 -0.670817D+00 -0.340719D+01 -0.986377D+00
      3   0.122367D+01 -0.100382D+00 -0.663915D+00  0.930761D+00 -0.152922D+01
               126           127           128           129           130 
      1  -0.302726D+01  0.306281D+01 -0.187032D+01  0.402067D+01 -0.172007D+01
      2   0.489100D+01 -0.247803D+01  0.950955D+00 -0.410644D+00  0.107810D+01
      3   0.125465D+01 -0.798757D+01  0.178593D+01 -0.482470D+01  0.377298D+01
               131           132           133           134           135 
      1   0.204757D+01 -0.415888D+01  0.298140D+01 -0.262609D+01  0.890558D+01
      2  -0.118658D+01  0.944353D+00 -0.332930D+01  0.208246D+01 -0.284104D+01
      3  -0.572493D+01  0.301766D+01 -0.744728D+01  0.439872D+01 -0.649539D+01
               136           137           138           139           140 
      1  -0.331514D+00 -0.644714D+00  0.356442D+00  0.181723D+00 -0.370890D+01
      2   0.842357D-01 -0.125379D+00  0.511318D+00 -0.803226D+00  0.343916D+01
      3  -0.116347D+01  0.908872D+00  0.513482D+00  0.447934D+01 -0.105906D+02
               141           142           143           144           145 
      1  -0.662206D+01  0.666866D+00 -0.411324D+01 -0.709149D+01  0.398348D+01
      2   0.257079D+01 -0.237160D+01  0.372530D+01  0.383923D+01 -0.786916D+01
      3  -0.470089D+01  0.251643D+01 -0.606230D+01 -0.594996D+01  0.855050D+01
               146           147           148           149           150 
      1   0.595809D+01 -0.123177D+01  0.537567D+01  0.945750D+01 -0.159170D+01
      2  -0.542052D+01 -0.138965D+01 -0.600001D+01 -0.840993D+01 -0.156766D+01
      3   0.585859D+01  0.142033D+01  0.920293D+01  0.108292D+02  0.262649D+01
               151           152           153           154           155 
      1  -0.844236D+00  0.740053D+00  0.132636D+01 -0.393496D+01  0.552637D+01
      2  -0.184882D+01 -0.959986D+00 -0.979146D+00 -0.880616D+01  0.384246D+01
      3  -0.681467D+00 -0.183297D+00  0.163387D+01 -0.336887D+00  0.407459D+00
               156           157           158           159           160 
      1  -0.217141D+01  0.487711D+01 -0.856480D+01  0.271843D+01 -0.240091D+01
      2  -0.384400D+01  0.592791D+01 -0.612403D+01  0.539864D+01 -0.533986D+01
      3   0.266904D-01  0.282811D+01 -0.132301D+01  0.107691D+01 -0.654225D+00
               161           162           163           164           165 
      1   0.491466D+01 -0.413279D+01 -0.934126D+00 -0.186596D+01  0.207625D+01
      2   0.382561D+01 -0.518203D+01  0.388167D+01  0.206717D+00  0.340794D+01
      3   0.251610D+00 -0.114939D+01 -0.219355D+01 -0.258165D+01  0.396858D+00
               166           167           168           169           170 
      1  -0.235637D+00  0.114515D+01  0.360644D+00  0.100798D+01  0.269730D+01
      2  -0.110944D+01 -0.155017D+01  0.128377D+00 -0.303241D+01  0.793504D-01
      3   0.552182D+00  0.195301D+01  0.139066D+01  0.165272D+01  0.172219D+01
               171           172           173           174           175 
      1  -0.284793D+01  0.285415D+01  0.113338D+01  0.440075D+01  0.795019D+00
      2  -0.322883D+01  0.305862D+01  0.715650D+00  0.681151D+01  0.108796D+01
      3  -0.807649D+00 -0.275166D+01 -0.729314D+00 -0.356796D+01  0.199581D+00
               176           177           178           179           180 
      1   0.250688D+01  0.202119D+01  0.537717D+01  0.419503D+01  0.124723D+02
      2   0.265707D+01  0.392759D+01  0.534413D+01  0.143791D+00  0.200625D+02
      3  -0.167440D+01 -0.355352D+01 -0.363358D+01 -0.541040D+01 -0.507155D+01
               181           182           183           184           185 
      1  -0.110538D+01 -0.628634D+00 -0.171792D+01 -0.402838D+00 -0.273124D+01
      2   0.139521D+01  0.328036D+01 -0.535715D+00  0.249821D+01  0.438067D+01
      3   0.988877D+01  0.135427D+02 -0.242746D+01  0.100545D+02  0.269286D+02
               186           187           188           189           190 
      1  -0.389282D+01  0.402354D+00 -0.297570D+00  0.139171D+01 -0.584327D+01
      2  -0.258312D+01 -0.621358D+00 -0.340172D+01  0.230514D+01 -0.101961D+02
      3  -0.439562D+01 -0.161352D+01 -0.341224D+01  0.328256D+01 -0.411044D+01
               191           192           193           194           195 
      1   0.232773D+01  0.506672D+01  0.267570D+01 -0.222340D+01 -0.217585D+01
      2   0.477014D+01  0.993548D+01  0.396972D+01 -0.332847D+01 -0.228758D+01
      3  -0.311109D+01  0.796494D+00 -0.234348D-01  0.422662D+01  0.532309D+00
               196           197           198           199           200 
      1   0.504582D+01 -0.903762D+00 -0.377242D+01  0.348089D+00 -0.110389D+01
      2   0.844171D+01 -0.342295D+01 -0.748321D+01 -0.346327D+00  0.119020D+01
      3   0.842249D+00  0.368668D+01 -0.137565D+01  0.107001D+00 -0.272007D+00
               201           202           203           204           205 
      1  -0.654670D+00 -0.222634D+01 -0.550419D+01 -0.178907D+01 -0.570261D+01
      2  -0.343474D+00  0.202832D+01  0.947250D+00  0.607190D+00 -0.318213D+01
      3   0.803061D-02  0.340147D+01 -0.302557D+01  0.297532D+00 -0.144577D+01
               206           207           208           209           210 
      1   0.225728D+01 -0.885748D+00  0.864681D+00  0.575415D-01 -0.167944D+00
      2   0.100832D+00  0.506343D+00  0.229315D+01 -0.251697D+00  0.367408D+00
      3   0.582391D+00 -0.782462D+00  0.302658D+01  0.927476D+00 -0.265196D+00
               211           212           213           214           215 
      1  -0.228967D+00  0.782892D+00 -0.355935D+01 -0.168102D+01  0.317933D+00
      2  -0.282247D+00  0.317266D+01 -0.212156D+01 -0.451875D+01 -0.179205D+01
      3   0.588212D+01  0.137641D+02 -0.249143D+01 -0.188205D+01 -0.315364D+01
               216           217           218           219           220 
      1   0.580063D+00 -0.120858D-01 -0.611733D+00  0.161768D+01 -0.128380D+01
      2   0.424157D+00 -0.148685D+01  0.103811D+01 -0.212681D+01  0.174375D+01
      3   0.177247D+01 -0.101790D+01  0.304785D+01 -0.191894D+01  0.161312D+01
               221           222           223           224           225 
      1   0.108919D+01 -0.270371D+01 -0.147516D+01 -0.320671D+01  0.128078D+02
      2  -0.366260D+01  0.472563D+01 -0.223014D+00  0.852522D+01 -0.242955D+02
      3  -0.520194D+01  0.387117D+01 -0.517413D+00  0.625928D+01 -0.872009D+01
               226           227           228           229           230 
      1  -0.232280D+01 -0.596237D+00 -0.225287D+01 -0.743623D+00 -0.709676D+00
      2   0.568102D+01  0.159348D+01  0.660632D+01  0.131049D+01  0.163715D+01
      3   0.475884D+01 -0.507109D+01  0.731544D+00  0.259223D+00 -0.837787D+00
               231           232           233           234           235 
      1  -0.148742D+01 -0.129760D+01 -0.130942D+00 -0.409297D+00 -0.101704D+01
      2   0.173098D+01  0.324721D+01  0.209937D+01  0.114290D+01  0.387315D+01
      3  -0.107009D+01  0.415455D+00 -0.210542D+01 -0.120068D+01 -0.686507D+01
               236           237           238           239           240 
      1   0.338994D+01  0.300561D+01  0.190175D+01 -0.464342D+01 -0.448114D+01
      2  -0.295296D+01 -0.326941D+01 -0.158385D+01  0.593559D+01  0.526756D+01
      3   0.111273D+02  0.491933D+01  0.747111D+01 -0.176518D+02 -0.676527D+01
               241           242           243 
      1   0.579232D+00 -0.444494D+01 -0.430582D+01
      2  -0.243184D+01  0.761095D+01  0.569980D+01
      3   0.385543D+01 -0.101575D+02 -0.932495D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.629643D+01  0.683988D+01  0.840642D+01  0.407366D+01  0.198033D+02
      2   0.556995D+01 -0.200016D+02 -0.124600D+02 -0.164745D+02 -0.114047D+02
      3  -0.118664D+02  0.131618D+02  0.405361D+01  0.124008D+02 -0.839865D+01
      4   0.829119D+01  0.622833D+01 -0.133719D+02  0.819980D+01 -0.306838D+01
      5   0.225900D+02 -0.135311D+02 -0.266946D+02 -0.136746D+02 -0.287824D+01
      6  -0.916228D+01 -0.739018D+01  0.121770D+02 -0.792053D+01 -0.658290D+01
                 6             7             8             9            10 
      1  -0.963401D+01  0.364539D+01 -0.115581D+02 -0.179402D+02 -0.652427D+00
      2  -0.468503D+00 -0.895564D+01  0.164356D+01  0.943284D+01 -0.163366D+01
      3   0.101025D+02  0.531024D+01  0.991454D+01  0.850737D+01  0.228609D+01
      4   0.801475D+01 -0.152713D+02  0.750932D+01  0.433605D+01 -0.157125D+02
      5   0.114456D+01 -0.260309D+02  0.634279D+01  0.843645D+01 -0.123482D+02
      6  -0.398202D+01  0.122345D+02 -0.369336D+01  0.569545D+01  0.798731D+01
                11            12            13            14            15 
      1  -0.102420D+02 -0.207419D+01 -0.230517D+01 -0.269684D+02  0.926572D+01
      2   0.131942D+02  0.144697D+01  0.394859D+01  0.123873D+02 -0.187898D+01
      3  -0.295221D+01  0.627223D+00 -0.164342D+01  0.145811D+02 -0.738674D+01
      4  -0.132733D+02  0.123926D+02 -0.198162D+02 -0.187325D+02 -0.770687D+01
      5   0.115969D+02  0.159287D+02  0.142387D+02 -0.250841D+01  0.606164D+01
      6  -0.762001D+01 -0.238460D+01 -0.273692D+01  0.109309D+02 -0.114176D+01
                16            17            18            19            20 
      1  -0.271297D+01  0.148964D+02  0.166169D+02  0.330821D+02  0.747353D+01
      2  -0.486947D+01 -0.453954D+01 -0.117631D+02 -0.153850D+02 -0.996520D+01
      3   0.758244D+01 -0.103569D+02 -0.485384D+01 -0.176971D+02  0.249168D+01
      4   0.182906D+02 -0.147014D+02  0.144532D+01  0.994156D+01 -0.724269D+01
      5   0.234820D+02  0.164147D+01  0.941951D+01 -0.582855D+01 -0.212633D+01
      6  -0.321169D+01 -0.104013D+01 -0.832046D+01 -0.707937D+01 -0.781240D+00
                21            22            23            24            25 
      1   0.505416D+01  0.459742D+01  0.223424D+01 -0.342926D+01  0.192140D+02
      2   0.224390D+01 -0.571979D+01 -0.599557D+01  0.119490D+01  0.742839D+01
      3  -0.729806D+01  0.112237D+01  0.376134D+01  0.223436D+01 -0.266424D+02
      4  -0.457862D+01 -0.713738D+01 -0.177246D+01  0.458711D+01 -0.117504D+02
      5  -0.753209D+01 -0.536994D+01  0.103853D+01  0.521650D+01 -0.168703D+02
      6   0.618043D+00 -0.201867D+01 -0.398809D+01  0.269763D+01 -0.163599D+01
                26            27            28            29            30 
      1  -0.905679D+01  0.117202D+02 -0.108805D+03  0.109222D+02 -0.127395D+02
      2   0.498303D+01  0.144553D+02  0.452399D+02 -0.590665D+01  0.453999D+01
      3   0.407376D+01 -0.261755D+02  0.635651D+02 -0.501550D+01  0.819946D+01
      4   0.106047D+02  0.222746D+01  0.186442D+02 -0.987895D+01  0.102058D+01
      5   0.530741D+01 -0.154861D+02 -0.131595D+01 -0.126448D+01 -0.104125D+02
      6   0.395058D+01  0.106243D+01  0.704264D+01  0.298537D+01  0.183332D+01
                31            32            33            34            35 
      1   0.439545D+02 -0.658614D+01  0.197936D+01 -0.399214D+02 -0.923227D+00
      2  -0.207860D+02  0.244010D+01  0.810844D+00  0.120429D+02  0.286799D+01
      3  -0.231685D+02  0.414604D+01 -0.279020D+01  0.278785D+02 -0.194477D+01
      4  -0.151152D+02 -0.322312D+01  0.104711D+01  0.745781D+01 -0.372779D+01
      5   0.655276D+01  0.239567D+01  0.265730D+01 -0.655067D+01  0.147153D-01
      6   0.151398D+01  0.893195D+01 -0.120284D+01  0.116799D+00  0.339357D+01
                36            37            38            39            40 
      1  -0.286750D+02  0.156908D+03 -0.257923D+02  0.278865D+02 -0.201024D+02
      2  -0.706112D+00 -0.680933D+02  0.111301D+02 -0.952294D+01  0.580611D+01
      3   0.293811D+02 -0.888145D+02  0.146622D+02 -0.183635D+02  0.142963D+02
      4   0.415018D+01 -0.486029D+02  0.140478D+02 -0.522485D+01  0.166474D+02
      5  -0.132816D+02  0.210501D+02 -0.144597D+01  0.200824D+02  0.353183D+01
      6   0.379675D+01 -0.867416D+01 -0.141129D+01 -0.305817D+01 -0.131647D+01
                41            42            43            44            45 
      1   0.123774D+02 -0.774595D+01  0.377417D+02 -0.967174D+01  0.784167D+01
      2  -0.111333D+02  0.229048D+01 -0.166753D+02  0.737123D+01 -0.753047D+01
      3  -0.124408D+01  0.545547D+01 -0.210665D+02  0.230052D+01 -0.311202D+00
      4   0.126133D+02 -0.503338D+01 -0.707192D+01 -0.616742D+01 -0.577774D+01
      5  -0.688644D+01 -0.300303D+01  0.277650D+02 -0.594647D+01  0.625927D+01
      6   0.416273D+01  0.473462D+01 -0.831166D+01  0.630390D+01  0.825569D+00
                46            47            48            49            50 
      1  -0.138815D+03  0.400314D+02 -0.240523D+02  0.425268D+02 -0.248902D+02
      2   0.621210D+02 -0.188929D+02  0.132565D+02 -0.277639D+02  0.498330D+01
      3   0.766939D+02 -0.211384D+02  0.107958D+02 -0.147629D+02  0.199069D+02
      4   0.687020D+02 -0.304050D+02  0.152835D+02 -0.393384D+02 -0.150022D+02
      5  -0.382313D+02  0.113759D+02 -0.224339D+02  0.205078D+02 -0.916178D+00
      6   0.152285D+02 -0.589492D+01  0.137100D+01  0.455008D+00  0.433358D+01
                51            52            53            54            55 
      1   0.125637D+02 -0.445242D+02  0.137385D+02 -0.149706D+02  0.151754D+03
      2  -0.103745D+02  0.210929D+02 -0.374546D+01  0.331070D+01 -0.737641D+02
      3  -0.218924D+01  0.234314D+02 -0.999306D+01  0.116599D+02 -0.779897D+02
      4  -0.860365D+00  0.288325D+02 -0.159449D+01  0.721761D+01 -0.671902D+02
      5   0.248612D+01 -0.902064D+01  0.520259D+01 -0.111607D+02  0.334912D+02
      6  -0.674817D+01  0.329031D+00  0.216636D+01  0.425791D+01 -0.778069D+01
                56            57            58            59            60 
      1  -0.415947D+02  0.244387D+02 -0.838484D+02  0.310598D+02 -0.125853D+02
      2   0.161059D+02 -0.150074D+02  0.334907D+02 -0.339488D+01  0.734967D+01
      3   0.254888D+02 -0.943131D+01  0.503578D+02 -0.276650D+02  0.523567D+01
      4   0.393969D+02 -0.117920D+02  0.690398D+02 -0.476174D+02  0.146787D+02
      5  -0.990003D+01  0.283179D+02 -0.216179D+02  0.123083D+02 -0.152828D+02
      6   0.397494D+01 -0.543260D+01  0.847407D+01 -0.604614D+01  0.115211D+02
                61            62            63            64            65 
      1   0.414981D+02 -0.701951D+01  0.244966D+02 -0.262830D+02  0.299986D+02
      2  -0.242286D+02  0.478541D+01 -0.187157D+02  0.793092D+01 -0.267927D+02
      3  -0.172695D+02  0.223410D+01 -0.578090D+01  0.183521D+02 -0.320598D+01
      4  -0.193098D+02  0.100929D+02 -0.211398D+02  0.244413D+02  0.667982D+01
      5   0.462485D+02 -0.199231D+02  0.295464D+02  0.150288D+02 -0.159893D+02
      6  -0.902253D+01  0.107369D+02 -0.796748D+01 -0.103451D+02  0.151206D+02
                66            67            68            69            70 
      1   0.109024D+02  0.219463D+02  0.300579D+02 -0.190090D+02  0.184276D+02
      2   0.566923D+01 -0.180284D+02 -0.267514D+02  0.118918D+02  0.479526D+01
      3  -0.165716D+02 -0.391794D+01 -0.330652D+01  0.711721D+01 -0.232228D+02
      4  -0.208988D+02  0.857728D+01  0.144597D+01  0.104143D+02 -0.265038D+02
      5  -0.183551D+02 -0.179971D+02  0.817086D+01 -0.113447D+02 -0.251845D+02
      6   0.651203D+01  0.128211D+02  0.288798D+00  0.329050D+01  0.880680D+01
                71            72            73            74            75 
      1  -0.215433D+02 -0.234091D+02 -0.144052D+01 -0.139256D+02 -0.214637D+02
      2   0.114819D+02  0.246195D+02  0.183014D+00  0.108451D+02  0.128791D+02
      3   0.100614D+02 -0.121046D+01  0.125750D+01  0.308054D+01  0.858459D+01
      4   0.146098D+02  0.268857D+01 -0.127230D+02  0.533789D+01 -0.119505D+01
      5  -0.463296D+01 -0.292813D+02 -0.106688D+02  0.340164D+01 -0.234189D+02
      6   0.332420D+01  0.715295D+01 -0.408150D+01  0.695557D+01 -0.763730D+01
                76            77            78            79            80 
      1  -0.173544D+02  0.174207D+02  0.767418D+01 -0.231603D+02  0.209489D+01
      2   0.174162D+02 -0.219593D+01 -0.551321D+01  0.135031D+02 -0.168950D+01
      3  -0.617830D-01 -0.152247D+02 -0.216097D+01  0.965720D+01 -0.405385D+00
      4   0.130746D+02  0.358376D+02  0.467076D+01  0.452528D+01  0.975082D+01
      5   0.108282D+02 -0.173793D+01 -0.118444D+02 -0.382960D+02 -0.162042D+02
      6   0.357856D+01 -0.740578D+00 -0.482395D+01 -0.139679D+02 -0.590386D+01
                81            82            83            84            85 
      1  -0.246299D+02 -0.197114D+02 -0.228862D+00  0.151481D+02  0.209494D+01
      2   0.167715D+02  0.173829D+02  0.628747D+01 -0.147080D+02  0.252615D+01
      3   0.785843D+01  0.232848D+01 -0.605860D+01 -0.440103D+00 -0.462110D+01
      4  -0.215379D+02  0.591566D+00  0.992943D+01  0.267230D+01  0.987420D+01
      5   0.112019D+02  0.694852D+01 -0.295560D+01  0.167589D+01 -0.612666D+01
      6   0.889690D+01  0.101323D+02 -0.670508D+01  0.322496D+01 -0.406629D+01
                86            87            88            89            90 
      1   0.111327D+02  0.517157D+01  0.181543D+02  0.115072D+02  0.158916D+02
      2  -0.626407D+01 -0.929066D+01 -0.171566D+02 -0.180449D+02 -0.179062D+02
      3  -0.486864D+01  0.411909D+01 -0.997642D+00  0.653767D+01  0.201453D+01
      4  -0.347085D+01 -0.131676D+02  0.960169D+00 -0.190119D+02 -0.277554D+01
      5  -0.674734D+01 -0.344781D+01  0.408887D+01 -0.548424D+01 -0.611598D+00
      6  -0.178410D+02 -0.150215D+02  0.396517D+01 -0.207676D+02 -0.319788D+01
                91            92            93            94            95 
      1  -0.586105D+02 -0.299270D+02 -0.150838D+02 -0.118495D+02  0.200073D+02
      2   0.247415D+02  0.232406D+02  0.114482D+02  0.139483D+02 -0.450623D+01
      3   0.338690D+02  0.668649D+01  0.363558D+01 -0.209887D+01 -0.155011D+02
      4  -0.263617D+02  0.144399D+02 -0.505428D+01  0.223720D+02  0.182632D+02
      5  -0.131647D+02 -0.195855D+01  0.128612D+02 -0.259019D+01 -0.930149D+01
      6  -0.658156D+01  0.186053D+01  0.800636D+01 -0.562658D+00 -0.897078D+01
                96            97            98            99           100 
      1   0.298512D+01 -0.221934D+02  0.439281D+00  0.214760D+02  0.528245D+02
      2  -0.754914D+01  0.121496D+02 -0.102317D+02 -0.894458D+01 -0.273151D+02
      3   0.456402D+01  0.100438D+02  0.979247D+01 -0.125314D+02 -0.255094D+02
      4  -0.747482D+01 -0.745442D+01 -0.724179D+01 -0.128951D+02  0.235931D+02
      5  -0.994516D+01  0.546676D+01 -0.155547D+02  0.260394D+02  0.240545D+02
      6  -0.387545D+01  0.332205D+01 -0.111839D+02  0.135285D+02  0.576633D+01
               101           102           103           104           105 
      1   0.962029D+01  0.200120D+02  0.336335D+01  0.504503D+01 -0.509973D+00
      2  -0.301050D+01 -0.110363D+02  0.198687D+00 -0.154386D+01  0.170312D+01
      3  -0.660979D+01 -0.897575D+01 -0.356203D+01 -0.350117D+01 -0.119315D+01
      4   0.130716D+02  0.801560D+01  0.112178D+02  0.422889D+01  0.563806D+01
      5   0.381760D+01  0.192584D+02  0.156731D+01  0.581792D+01  0.303640D+01
      6   0.192692D+01  0.548547D+01  0.245611D+01  0.255960D+01  0.406536D+01
               106           107           108           109           110 
      1   0.315324D+02  0.319955D+01  0.176456D+02  0.230260D+02  0.865535D+01
      2  -0.180669D+02  0.509308D+00 -0.133779D+02 -0.131063D+02 -0.404486D+01
      3  -0.134654D+02 -0.370886D+01 -0.426767D+01 -0.991975D+01 -0.461049D+01
      4   0.140415D+02  0.106402D+02  0.121851D+02  0.181334D+02  0.108662D+02
      5   0.268202D+02  0.763629D+01  0.213426D+02 -0.175455D+02 -0.743141D+01
      6   0.777071D+01  0.481721D+01  0.639930D+01 -0.764521D+01 -0.458773D+01
               111           112           113           114           115 
      1  -0.865968D+01  0.683255D+01 -0.716132D+00 -0.123530D+01 -0.163044D+02
      2   0.586962D+01 -0.217608D+01  0.383580D+01 -0.874630D+00  0.122336D+02
      3   0.279006D+01 -0.465647D+01 -0.311967D+01  0.210993D+01  0.407079D+01
      4  -0.945890D+01  0.138513D+02  0.109736D+02 -0.116365D+02 -0.196245D+02
      5   0.186154D+02 -0.824764D+01 -0.102107D+02  0.970195D+01  0.323498D+02
      6   0.656793D+01 -0.656957D+01 -0.738654D+01  0.893635D+01  0.137521D+02
               116           117           118           119           120 
      1  -0.250497D+01  0.922137D+01 -0.816558D+00  0.198328D+00 -0.129031D+01
      2  -0.137141D+00 -0.143091D+02 -0.592780D+01  0.108181D+01 -0.430014D+01
      3   0.264211D+01  0.508770D+01  0.674435D+01 -0.128013D+01  0.559045D+01
      4  -0.186770D+02  0.199433D+02 -0.503443D+00  0.415877D+01  0.439930D+00
      5   0.154919D+02 -0.375374D+02  0.827522D+01 -0.960981D+00  0.121643D+02
      6   0.118033D+02 -0.180469D+02  0.217495D+00  0.130820D+01  0.676082D-01
               121           122           123           124           125 
      1   0.550565D+01 -0.469303D+01  0.272707D+01 -0.844997D+01  0.977601D+00
      2  -0.130904D+01 -0.476974D+00  0.126029D+01 -0.566251D+01  0.314536D+01
      3  -0.419661D+01  0.517000D+01 -0.398735D+01  0.141125D+02 -0.412296D+01
      4   0.386966D+01  0.279951D+00  0.315778D+01  0.125401D+01  0.347608D+01
      5  -0.138118D+01  0.326026D+01 -0.232621D+01  0.164668D+02 -0.292857D+01
      6   0.175256D+01 -0.164153D+01  0.702116D+01  0.148136D+01  0.467759D+01
               126           127           128           129           130 
      1  -0.243582D+02 -0.353547D+01  0.731173D+01 -0.546067D+01  0.474443D+01
      2  -0.195248D+02  0.334461D+01 -0.952791D+01  0.510592D+01 -0.573371D+01
      3   0.438830D+02  0.190864D+00  0.221618D+01  0.354757D+00  0.989279D+00
      4  -0.773145D+00 -0.515270D+01  0.721797D+00 -0.247378D+01  0.200562D+01
      5   0.238212D+02 -0.461979D+00  0.651318D+00 -0.635781D+00  0.453929D+00
      6   0.579161D+00 -0.610845D+01  0.396595D+01 -0.569212D+01  0.280323D+01
               131           132           133           134           135 
      1  -0.134135D+02  0.532443D+01 -0.902640D+01  0.933460D+01 -0.141720D+02
      2   0.159767D+02 -0.541295D+01  0.631925D+01 -0.105323D+02  0.975841D+01
      3  -0.256327D+01  0.885184D-01  0.270715D+01  0.119767D+01  0.441356D+01
      4   0.243470D+00  0.827604D+00 -0.486681D+01 -0.469816D+00 -0.934557D+00
      5  -0.919555D+00  0.163693D+01 -0.368881D+00  0.266287D+01 -0.425118D+01
      6  -0.517133D+01  0.903882D+01 -0.502577D+01  0.118310D+02 -0.132965D+02
               136           137           138           139           140 
      1  -0.945203D+00  0.371514D+01  0.669200D+00  0.210078D+01 -0.316257D+02
      2   0.261925D+01 -0.199553D+01  0.443736D+00  0.432600D+00  0.423341D+02
      3  -0.167405D+01 -0.171960D+01 -0.111294D+01 -0.253338D+01 -0.107085D+02
      4   0.533903D+01  0.816877D+01  0.353479D+01  0.800911D+01  0.211413D+02
      5   0.113539D+01  0.322561D+01  0.386553D+01  0.254235D+01  0.923984D+01
      6   0.372455D+01  0.102252D+01 -0.224697D+00  0.170978D+01  0.273430D+02
               141           142           143           144           145 
      1  -0.151757D+02 -0.201589D-01 -0.218317D+02 -0.187236D+02 -0.840236D+01
      2   0.170235D+02  0.221508D+01  0.231367D+02  0.134037D+02  0.730724D+01
      3  -0.184782D+01 -0.219492D+01 -0.130499D+01  0.531986D+01  0.109512D+01
      4   0.995553D+01  0.527592D+01  0.149638D+02  0.946806D+01  0.256987D+01
      5   0.611976D+01  0.333711D+01  0.993974D+01  0.875913D+01  0.358827D+01
      6   0.194794D+02  0.848467D+00  0.260074D+02  0.223423D+02  0.670346D+01
               146           147           148           149           150 
      1  -0.108258D+02 -0.632142D+01 -0.858483D+01 -0.221554D+02 -0.668044D+01
      2   0.122001D+02  0.191422D+01  0.106521D+02  0.256045D+02  0.204582D+01
      3  -0.137429D+01  0.440721D+01 -0.206729D+01 -0.344910D+01  0.463462D+01
      4   0.316336D+00  0.134782D+01  0.229682D+01 -0.628876D+01 -0.238288D+01
      5   0.493666D+01  0.290065D+01  0.652257D+01  0.288323D+01 -0.196344D+01
      6   0.981697D+01  0.368715D+01  0.717968D+01  0.183015D+02  0.928901D+01
               151           152           153           154           155 
      1  -0.154843D+01 -0.135210D+01 -0.292490D+01 -0.690229D+01  0.280329D+01
      2  -0.323599D+00 -0.176117D+01  0.131602D+01 -0.181706D+01  0.304698D+01
      3   0.187203D+01  0.311327D+01  0.160887D+01  0.871935D+01 -0.585027D+01
      4   0.152727D+01  0.257733D+00 -0.617481D+00  0.282005D+01 -0.293064D+01
      5   0.314056D+01 -0.728243D+00  0.347769D-02  0.199537D+01 -0.820031D+00
      6   0.161200D+01  0.557654D+01  0.254730D+01 -0.239639D+01  0.557814D+01
               156           157           158           159           160 
      1  -0.881201D+01  0.435335D+01 -0.960457D+01  0.100881D+02 -0.468505D+01
      2  -0.197743D+01  0.163982D+01  0.157838D+01  0.441308D+01 -0.168424D+01
      3   0.107894D+02 -0.599316D+01  0.802620D+01 -0.145012D+02  0.636929D+01
      4   0.322301D+01 -0.327801D+01  0.758066D+01 -0.453293D+01  0.315102D+01
      5   0.369882D+01 -0.184941D+01  0.551245D+00  0.355341D+01  0.539934D+01
      6  -0.290287D+01  0.448214D+01 -0.918761D+01  0.608442D+01 -0.340446D+01
               161           162           163           164           165 
      1   0.624588D+01 -0.105422D+02  0.170864D+02 -0.196293D+01 -0.407009D+01
      2   0.266575D+01 -0.692753D+01 -0.182443D+02  0.346549D+01  0.157324D+02
      3  -0.891163D+01  0.174697D+02  0.115785D+01 -0.150256D+01 -0.116623D+02
      4  -0.330336D+01  0.371966D+01 -0.138265D+02  0.100427D+02  0.104046D+02
      5  -0.178248D+00 -0.213504D+01 -0.341915D+02  0.109553D+02  0.316326D+02
      6   0.645820D+01 -0.482967D+01  0.888780D+01 -0.745337D+01 -0.100674D+02
               166           167           168           169           170 
      1  -0.109420D+01 -0.180758D+01 -0.122323D+01 -0.363155D+01 -0.102743D+01
      2   0.197187D+01  0.282145D+00 -0.623642D+00  0.129877D+02 -0.211430D+01
      3  -0.877671D+00  0.152544D+01  0.184687D+01 -0.935611D+01  0.314172D+01
      4   0.789703D+01 -0.629336D+01 -0.761167D+01  0.854828D+01 -0.654875D+01
      5   0.684973D+01 -0.783652D+01 -0.643306D+01  0.255814D+02 -0.892484D+01
      6  -0.530315D+01  0.648185D+01  0.841491D+01 -0.805651D+01  0.785632D+01
               171           172           173           174           175 
      1  -0.287786D+01  0.166010D+02 -0.245137D+01  0.100580D+02  0.452066D+01
      2  -0.173821D+02 -0.122334D+02  0.127801D+01 -0.111845D+02 -0.331378D+01
      3   0.202600D+02 -0.436759D+01  0.117336D+01  0.112650D+01 -0.120687D+01
      4  -0.895997D+01 -0.625126D+01  0.340888D+01 -0.144559D+01  0.108485D+01
      5  -0.306368D+02  0.151547D+02  0.108471D+01  0.199045D+02  0.618353D+01
      6   0.113332D+02 -0.334962D+01  0.694956D-01 -0.588305D+01 -0.372065D+00
               176           177           178           179           180 
      1  -0.196210D+01  0.486507D+01  0.130691D+02  0.276583D+01  0.876512D+01
      2  -0.135972D+00 -0.734063D+01 -0.144807D+02 -0.501368D+01 -0.249657D+02
      3   0.209807D+01  0.247556D+01  0.141161D+01  0.224785D+01  0.162006D+02
      4   0.372596D+01  0.459826D+01 -0.470077D+01  0.844571D+01 -0.503368D+01
      5   0.512501D+01  0.880863D+01  0.270019D+02 -0.922386D+00  0.475693D+02
      6   0.867478D-02  0.196114D+01 -0.832255D+01  0.535086D+01 -0.169977D+02
               181           182           183           184           185 
      1  -0.922538D+01 -0.213176D+02  0.229795D+01 -0.152768D+02 -0.353510D+02
      2   0.971811D+01  0.232195D+02 -0.255925D+01  0.119045D+02  0.480154D+02
      3  -0.492731D+00 -0.190189D+01  0.261301D+00  0.337233D+01 -0.126645D+02
      4   0.188241D+00 -0.655542D+01  0.330786D+01  0.478240D+01 -0.274796D+02
      5  -0.312545D+01  0.152421D+01 -0.702606D+00 -0.860537D+00  0.230282D+01
      6  -0.134593D+01 -0.654183D+01  0.444858D+01 -0.292749D+01 -0.125028D+02
               186           187           188           189           190 
      1   0.685159D+01 -0.240802D+00  0.689068D+01 -0.392129D+01  0.627533D+02
      2  -0.623951D+01 -0.139936D+01 -0.496704D+01  0.312062D+01 -0.244827D+02
      3  -0.612088D+00  0.164017D+01 -0.192364D+01  0.800665D+00 -0.382706D+02
      4   0.349890D+01  0.234219D+01  0.133168D+01 -0.378475D+01 -0.415808D+02
      5  -0.401500D+01  0.307105D+01 -0.395282D+01  0.444182D+01 -0.147640D+02
      6   0.868982D+01  0.970975D+00  0.861739D+01 -0.443618D+01  0.736698D+01
               191           192           193           194           195 
      1  -0.203289D+02 -0.150792D+02 -0.124577D+02  0.555789D+01  0.405912D+01
      2   0.415179D+01  0.488163D+01  0.410123D+00  0.505122D+01  0.654238D-01
      3   0.161771D+02  0.101975D+02  0.120476D+02 -0.106091D+02 -0.412455D+01
      4   0.240965D+02  0.106789D+02  0.203511D+02 -0.170970D+02 -0.724840D+01
      5   0.590316D+01  0.151984D+02  0.478816D+01 -0.529011D+01 -0.238770D+01
      6  -0.401108D+01 -0.728340D+01 -0.389709D+01  0.223041D+01  0.350273D+01
               196           197           198           199           200 
      1  -0.272574D+02  0.893397D+01  0.134723D+02 -0.807097D+00  0.151410D+01
      2   0.935295D+01 -0.619348D-01 -0.796049D+01 -0.164609D+00 -0.163075D+00
      3   0.179045D+02 -0.887203D+01 -0.551181D+01  0.971706D+00 -0.135102D+01
      4   0.217442D+02 -0.167894D+02 -0.103208D+02  0.336709D+01  0.513421D+01
      5   0.187436D+02 -0.677925D+01 -0.126323D+02 -0.120135D+01 -0.199764D+01
      6  -0.880808D+01  0.477268D+01  0.698199D+01 -0.246854D+01 -0.802428D+00
               201           202           203           204           205 
      1  -0.132577D+01  0.188814D+01 -0.132438D+02  0.570055D+01 -0.105731D+01
      2   0.515409D+00 -0.499147D+00  0.134199D+02 -0.246162D+01  0.254192D+01
      3   0.810358D+00 -0.138900D+01 -0.176149D+00 -0.323893D+01 -0.148461D+01
      4  -0.122676D+01  0.540692D+01  0.921782D+01 -0.301111D+01 -0.140344D+01
      5   0.134956D+01 -0.248240D+01 -0.386437D+01  0.253911D+01  0.183663D+01
      6   0.555787D+00 -0.773167D+00 -0.112651D+02  0.660366D+01  0.224201D+01
               206           207           208           209           210 
      1   0.469078D+01 -0.154577D+01 -0.407390D+00 -0.206773D+01  0.631304D+00
      2  -0.244433D+01  0.920680D+00  0.246054D+01  0.147355D+01 -0.291636D+00
      3  -0.224645D+01  0.625094D+00 -0.205315D+01  0.594177D+00 -0.339668D+00
      4  -0.139886D+01  0.543207D+00 -0.175217D+01  0.476405D+01 -0.967019D+00
      5   0.173732D+01 -0.258826D+00  0.104668D+01 -0.441345D+00  0.743155D+00
      6   0.481830D+01 -0.366744D+01 -0.662715D+00  0.968228D+00  0.307713D-01
               211           212           213           214           215 
      1  -0.486289D+01 -0.208113D+02  0.322538D+01  0.241690D+01  0.502634D+01
      2   0.245605D+01  0.267984D+02 -0.307665D+01 -0.281230D+00 -0.521582D+01
      3   0.240684D+01 -0.598711D+01 -0.148733D+00 -0.213567D+01  0.189485D+00
      4   0.298366D+01 -0.198195D+02  0.302156D+01 -0.149645D+01  0.517300D+01
      5  -0.495736D+00  0.238100D+01 -0.237775D+01 -0.105640D+01 -0.216611D+01
      6   0.492385D+00 -0.173769D+01  0.470445D+01  0.172963D+01  0.363768D+01
               216           217           218           219           220 
      1  -0.407177D+01  0.512155D+01  0.681505D+01 -0.637943D+01  0.507067D+01
      2   0.311663D+01 -0.370075D+01 -0.512245D+01  0.219738D+01 -0.272703D+01
      3   0.955143D+00 -0.142079D+01 -0.169261D+01  0.418205D+01 -0.234363D+01
      4  -0.259357D+01  0.286451D+01 -0.294686D+01 -0.115747D+01  0.209810D+01
      5   0.163665D+01 -0.328816D+01  0.326869D+00 -0.510116D+00 -0.228959D+00
      6  -0.237439D+01 -0.245895D+01  0.121286D+01 -0.277656D+01 -0.840455D+00
               221           222           223           224           225 
      1  -0.843844D+01  0.503282D+01 -0.859252D+01  0.506325D+01 -0.174533D+02
      2   0.658813D+01 -0.392166D+01  0.431600D+01 -0.287077D+01 -0.379456D+01
      3   0.185031D+01 -0.111116D+01  0.427652D+01 -0.219247D+01  0.212479D+02
      4   0.779703D+01 -0.649945D+01 -0.926352D+01 -0.153119D+02  0.137846D+02
      5  -0.700052D+01  0.900789D+01  0.857567D+01  0.159293D+02 -0.447831D+02
      6  -0.574160D+01  0.987176D+01  0.283202D+01  0.135204D+02 -0.241887D+02
               226           227           228           229           230 
      1   0.888729D+02  0.211149D+02  0.633039D+01  0.919141D+01  0.861672D+01
      2  -0.403201D+02 -0.577106D+01 -0.286880D+01 -0.187580D+00 -0.646592D+00
      3  -0.485528D+02 -0.153438D+02 -0.346159D+01 -0.900382D+01 -0.797013D+01
      4   0.443001D+02  0.232386D+02  0.343765D+01  0.162552D+02  0.990164D+01
      5   0.342808D+01  0.112836D+01  0.123286D+02  0.103373D+01  0.233658D+01
      6   0.304598D+01  0.573961D+00  0.424905D+01  0.187015D+00  0.128076D+01
               231           232           233           234           235 
      1   0.480479D+00  0.122747D+02  0.276954D+01  0.757948D+01 -0.644777D+01
      2   0.100642D+01 -0.588862D+01  0.390648D+00 -0.452853D+01  0.630985D+01
      3  -0.148690D+01 -0.638610D+01 -0.316019D+01 -0.305094D+01  0.137917D+00
      4   0.280984D+01  0.723215D+01  0.559179D+01  0.684973D+01 -0.244043D+00
      5   0.268680D+01  0.124281D+02  0.540203D+01  0.236150D+01  0.486646D+01
      6   0.244819D+01  0.408111D+01  0.340055D+01  0.670968D+00  0.403708D+01
               236           237           238           239           240 
      1   0.154991D+02  0.966729D+01  0.150477D+02 -0.222262D+02 -0.874908D+01
      2  -0.154500D+02 -0.657300D+01 -0.102350D+02  0.275146D+02  0.993684D+01
      3  -0.490631D-01 -0.309429D+01 -0.481272D+01 -0.528840D+01 -0.118776D+01
      4  -0.904518D+01  0.602699D-01  0.167967D+01  0.205007D+02  0.676362D+01
      5  -0.213102D+01 -0.572824D+01 -0.267822D+01  0.828658D+01  0.971409D+01
      6  -0.414106D+01 -0.549229D+01 -0.208324D+01  0.892438D+01  0.854287D+01
               241           242           243 
      1   0.110070D+02 -0.100684D+02 -0.139126D+02
      2  -0.565111D+01  0.124057D+02  0.870944D+01
      3  -0.535593D+01 -0.233727D+01  0.520317D+01
      4   0.353411D+01  0.124962D+02  0.858531D+01
      5  -0.153612D+01  0.109037D+02  0.773503D+01
      6  -0.244165D+01  0.113384D+02  0.822712D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 23:28:37 2021, MaxMem=  5368709120 cpu:           58495.9 elap:            7315.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.45985 -10.52874 -10.46538 -10.45590 -10.45061
 Alpha  occ. eigenvalues --  -10.44552 -10.43884 -10.43843 -10.43594 -10.43143
 Alpha  occ. eigenvalues --  -10.43028  -1.17897  -1.02053  -0.94565  -0.89267
 Alpha  occ. eigenvalues --   -0.87436  -0.83193  -0.81835  -0.75298  -0.72599
 Alpha  occ. eigenvalues --   -0.66164  -0.64528  -0.60899  -0.59662  -0.59275
 Alpha  occ. eigenvalues --   -0.56687  -0.56011  -0.54850  -0.53630  -0.52335
 Alpha  occ. eigenvalues --   -0.50809  -0.50513  -0.49093  -0.48385  -0.47753
 Alpha  occ. eigenvalues --   -0.46622  -0.44083  -0.42762  -0.41979  -0.40041
 Alpha  occ. eigenvalues --   -0.36538  -0.35983
 Alpha virt. eigenvalues --   -0.01667  -0.00794  -0.00577  -0.00240   0.00872
 Alpha virt. eigenvalues --    0.01000   0.01353   0.01616   0.01741   0.02227
 Alpha virt. eigenvalues --    0.03153   0.03669   0.03944   0.04423   0.04624
 Alpha virt. eigenvalues --    0.04878   0.05790   0.06827   0.07630   0.08003
 Alpha virt. eigenvalues --    0.08595   0.09863   0.09938   0.10302   0.10669
 Alpha virt. eigenvalues --    0.10820   0.11145   0.11407   0.11930   0.12145
 Alpha virt. eigenvalues --    0.12332   0.12718   0.13159   0.13431   0.13952
 Alpha virt. eigenvalues --    0.14019   0.14391   0.14955   0.15288   0.15693
 Alpha virt. eigenvalues --    0.16042   0.16400   0.16931   0.17100   0.17701
 Alpha virt. eigenvalues --    0.17967   0.18103   0.19118   0.19344   0.20570
 Alpha virt. eigenvalues --    0.20813   0.21283   0.22106   0.22733   0.22844
 Alpha virt. eigenvalues --    0.24398   0.24991   0.25431   0.25826   0.26027
 Alpha virt. eigenvalues --    0.27013   0.27450   0.27979   0.28193   0.28898
 Alpha virt. eigenvalues --    0.29266   0.29662   0.30138   0.30680   0.31011
 Alpha virt. eigenvalues --    0.31401   0.33065   0.33451   0.34003   0.34486
 Alpha virt. eigenvalues --    0.34998   0.35128   0.35968   0.36131   0.36552
 Alpha virt. eigenvalues --    0.37530   0.37748   0.37865   0.38613   0.38862
 Alpha virt. eigenvalues --    0.39514   0.40539   0.40942   0.41297   0.41911
 Alpha virt. eigenvalues --    0.42689   0.42971   0.43007   0.43914   0.43953
 Alpha virt. eigenvalues --    0.44663   0.45106   0.45294   0.45850   0.46524
 Alpha virt. eigenvalues --    0.46539   0.46763   0.47947   0.48199   0.48640
 Alpha virt. eigenvalues --    0.49141   0.50492   0.51257   0.51542   0.52510
 Alpha virt. eigenvalues --    0.52930   0.53082   0.53440   0.54585   0.55142
 Alpha virt. eigenvalues --    0.55756   0.56125   0.56515   0.56858   0.57467
 Alpha virt. eigenvalues --    0.57683   0.58322   0.58805   0.58968   0.59548
 Alpha virt. eigenvalues --    0.60567   0.60597   0.61266   0.61769   0.62386
 Alpha virt. eigenvalues --    0.62668   0.62995   0.63461   0.63814   0.64548
 Alpha virt. eigenvalues --    0.64973   0.65377   0.66252   0.66521   0.67928
 Alpha virt. eigenvalues --    0.68425   0.68560   0.69428   0.69721   0.69863
 Alpha virt. eigenvalues --    0.70806   0.71201   0.71640   0.72595   0.72675
 Alpha virt. eigenvalues --    0.73669   0.74071   0.74929   0.75262   0.76154
 Alpha virt. eigenvalues --    0.76280   0.76957   0.77547   0.78082   0.78431
 Alpha virt. eigenvalues --    0.78847   0.79694   0.79953   0.80343   0.80587
 Alpha virt. eigenvalues --    0.82154   0.82694   0.82806   0.84061   0.84177
 Alpha virt. eigenvalues --    0.84850   0.85355   0.86495   0.87178   0.88300
 Alpha virt. eigenvalues --    0.89426   0.90408   0.92589   0.92965   0.93304
 Alpha virt. eigenvalues --    0.94615   0.95241   0.95480   0.96090   0.97481
 Alpha virt. eigenvalues --    0.99072   0.99469   1.00388   1.02344   1.03639
 Alpha virt. eigenvalues --    1.04466   1.05693   1.05918   1.07535   1.07718
 Alpha virt. eigenvalues --    1.09272   1.10396   1.11335   1.13857   1.14294
 Alpha virt. eigenvalues --    1.15379   1.17004   1.17603   1.18455   1.19701
 Alpha virt. eigenvalues --    1.20925   1.22236   1.23642   1.25403   1.25800
 Alpha virt. eigenvalues --    1.26626   1.28992   1.29400   1.30401   1.32151
 Alpha virt. eigenvalues --    1.33657   1.34802   1.35381   1.37432   1.40982
 Alpha virt. eigenvalues --    1.42796   1.44031   1.45297   1.47985   1.48565
 Alpha virt. eigenvalues --    1.49812   1.51744   1.52311   1.53489   1.54126
 Alpha virt. eigenvalues --    1.55378   1.56868   1.57344   1.58586   1.58948
 Alpha virt. eigenvalues --    1.60624   1.62396   1.63017   1.64287   1.66301
 Alpha virt. eigenvalues --    1.67050   1.68422   1.69189   1.70005   1.70721
 Alpha virt. eigenvalues --    1.71792   1.74282   1.74832   1.75300   1.76177
 Alpha virt. eigenvalues --    1.76674   1.77856   1.79127   1.81192   1.81890
 Alpha virt. eigenvalues --    1.83463   1.84045   1.84587   1.84775   1.85762
 Alpha virt. eigenvalues --    1.86355   1.87593   1.88809   1.90064   1.91531
 Alpha virt. eigenvalues --    1.92048   1.94529   1.95167   1.96303   1.98219
 Alpha virt. eigenvalues --    1.98985   2.01719   2.02417   2.03037   2.03705
 Alpha virt. eigenvalues --    2.05356   2.06517   2.06906   2.08279   2.08850
 Alpha virt. eigenvalues --    2.10431   2.10668   2.12344   2.12760   2.13668
 Alpha virt. eigenvalues --    2.14774   2.15188   2.17233   2.18034   2.19292
 Alpha virt. eigenvalues --    2.20056   2.21226   2.23628   2.24197   2.25316
 Alpha virt. eigenvalues --    2.25767   2.27328   2.27494   2.29173   2.29426
 Alpha virt. eigenvalues --    2.30229   2.33852   2.35007   2.36116   2.36667
 Alpha virt. eigenvalues --    2.38307   2.40225   2.41384   2.44332   2.44882
 Alpha virt. eigenvalues --    2.46865   2.48273   2.48675   2.49810   2.51328
 Alpha virt. eigenvalues --    2.52545   2.55248   2.55930   2.57627   2.58166
 Alpha virt. eigenvalues --    2.60084   2.62895   2.63842   2.64552   2.65926
 Alpha virt. eigenvalues --    2.66368   2.68664   2.70471   2.72303   2.72545
 Alpha virt. eigenvalues --    2.74193   2.78891   2.80465   2.82117   2.83340
 Alpha virt. eigenvalues --    2.85884   2.91397   2.92500   2.93948   2.99310
 Alpha virt. eigenvalues --    3.02818   3.07343   3.10653   3.22963   3.24270
 Alpha virt. eigenvalues --    3.33628   3.40843   3.50676   3.53649   3.54971
 Alpha virt. eigenvalues --    3.70789   3.74320   3.86006   3.94852   5.05329
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.245877  -0.628264  -0.261440  -0.752662   0.209212   0.013158
     2  C   -0.628264  10.655174  -4.342886   2.163542  -0.711844   0.070293
     3  C   -0.261440  -4.342886  25.385008  -9.983077  -0.885891  -0.805872
     4  C   -0.752662   2.163542  -9.983077  22.456339  -5.946821  -1.938668
     5  C    0.209212  -0.711844  -0.885891  -5.946821  18.872983  -3.134296
     6  C    0.013158   0.070293  -0.805872  -1.938668  -3.134296  10.732571
     7  O   -0.001281  -0.002468  -0.000948  -0.105610  -0.160741   0.893451
     8  C   -0.294070  -0.839437   0.228691  -0.366976   0.016717   0.016133
     9  C   -0.499407  -1.391748   1.924367  -0.337598  -0.072069  -0.081912
    10  C    0.154418   1.534502  -2.594301   0.124869  -1.102523  -0.093577
    11  C    0.004908   0.012714  -0.318842  -0.123102  -0.054645   0.259759
    12  H    0.077470   0.335811  -0.137533   0.064493   0.056233   0.002288
    13  H    0.016544  -0.196444   0.303471  -0.043130  -0.023908  -0.003667
    14  H    0.162146   0.709012  -3.462433   1.252644   0.220994   0.016774
    15  H    0.137102   0.327046  -0.304232  -0.346906   0.088021   0.027074
    16  H   -0.075037  -0.282681   0.478437   0.474944   0.002530   0.009227
    17  H    0.201245   0.015722  -0.417564   0.047940   0.065318   0.012939
    18  H   -0.076983   0.617268  -0.095524  -0.138824   0.047638  -0.012769
    19  H    0.150540  -0.201281   0.190637   0.013487   0.030281   0.011831
    20  H   -0.057031   0.533936  -0.355785   0.156618   0.001880   0.004312
    21  H   -0.011525   0.011879   0.043238  -0.016214  -0.004037  -0.012630
    22  H    0.086127  -0.321620   0.277489  -0.109269   0.008624   0.001522
    23  H    0.010089  -0.148160   0.864062  -2.231537  -0.670456   0.316340
    24  H    0.024616   0.075694  -0.634355   1.069814  -2.242512   0.081710
    25  H   -0.002845   0.008021  -0.048913   0.089057  -0.213955   0.060889
    26  H   -0.000714  -0.002055   0.010732  -0.046475   0.385964  -0.012534
    27  H    0.000122   0.003297  -0.010301   0.035522  -0.191965   0.034274
               7          8          9         10         11         12
     1  C   -0.001281  -0.294070  -0.499407   0.154418   0.004908   0.077470
     2  C   -0.002468  -0.839437  -1.391748   1.534502   0.012714   0.335811
     3  C   -0.000948   0.228691   1.924367  -2.594301  -0.318842  -0.137533
     4  C   -0.105610  -0.366976  -0.337598   0.124869  -0.123102   0.064493
     5  C   -0.160741   0.016717  -0.072069  -1.102523  -0.054645   0.056233
     6  C    0.893451   0.016133  -0.081912  -0.093577   0.259759   0.002288
     7  O    7.776334  -0.000476   0.000634  -0.001230  -0.048933   0.000072
     8  C   -0.000476   6.378001  -0.320436  -0.124539   0.002851  -0.190342
     9  C    0.000634  -0.320436   8.029205  -1.013113  -0.012000  -0.591156
    10  C   -0.001230  -0.124539  -1.013113   8.877069  -0.028075  -0.066536
    11  C   -0.048933   0.002851  -0.012000  -0.028075   5.114995   0.000526
    12  H    0.000072  -0.190342  -0.591156  -0.066536   0.000526   2.732067
    13  H   -0.000048   0.055580  -0.408533   0.119264  -0.001980  -0.823177
    14  H    0.001352  -0.101307  -0.425372   0.128028   0.013397   0.052883
    15  H   -0.001034   0.038304  -0.307528  -0.565100   0.009809   0.273464
    16  H   -0.000704   0.011832   0.149234  -0.622891   0.000062  -0.239073
    17  H   -0.000493  -0.095396  -0.041238   0.166208  -0.003302  -0.012917
    18  H    0.001389  -0.046082  -0.169126  -0.033616  -0.005247   0.012905
    19  H   -0.000209   0.107486   0.029559  -0.120586   0.005280   0.041853
    20  H   -0.000108  -0.124006  -0.128908   0.195482   0.001924  -0.070399
    21  H    0.000156   0.417853  -0.088115  -0.029389   0.000945   0.003978
    22  H   -0.000016   0.089541   0.167770  -0.067544  -0.001058  -0.031316
    23  H   -0.012085   0.009900   0.100364  -0.093041  -0.114822   0.006523
    24  H   -0.084877  -0.001508  -0.029240   0.298265  -0.042554   0.000852
    25  H    0.022920  -0.000665  -0.004661  -0.002873   0.413481  -0.000007
    26  H   -0.048307   0.001078  -0.000186   0.003486  -0.070190   0.000029
    27  H    0.024648   0.001789   0.000246  -0.018155   0.432675   0.000095
              13         14         15         16         17         18
     1  C    0.016544   0.162146   0.137102  -0.075037   0.201245  -0.076983
     2  C   -0.196444   0.709012   0.327046  -0.282681   0.015722   0.617268
     3  C    0.303471  -3.462433  -0.304232   0.478437  -0.417564  -0.095524
     4  C   -0.043130   1.252644  -0.346906   0.474944   0.047940  -0.138824
     5  C   -0.023908   0.220994   0.088021   0.002530   0.065318   0.047638
     6  C   -0.003667   0.016774   0.027074   0.009227   0.012939  -0.012769
     7  O   -0.000048   0.001352  -0.001034  -0.000704  -0.000493   0.001389
     8  C    0.055580  -0.101307   0.038304   0.011832  -0.095396  -0.046082
     9  C   -0.408533  -0.425372  -0.307528   0.149234  -0.041238  -0.169126
    10  C    0.119264   0.128028  -0.565100  -0.622891   0.166208  -0.033616
    11  C   -0.001980   0.013397   0.009809   0.000062  -0.003302  -0.005247
    12  H   -0.823177   0.052883   0.273464  -0.239073  -0.012917   0.012905
    13  H    2.617137  -0.008644  -0.358827   0.199144   0.040894  -0.025582
    14  H   -0.008644   3.201593   0.202201  -0.192675   0.026836   0.005821
    15  H   -0.358827   0.202201   3.474246  -0.885773   0.002699  -0.050909
    16  H    0.199144  -0.192675  -0.885773   2.281142   0.005647  -0.004051
    17  H    0.040894   0.026836   0.002699   0.005647   2.435025  -0.577226
    18  H   -0.025582   0.005821  -0.050909  -0.004051  -0.577226   2.352868
    19  H   -0.087861   0.005746   0.027419  -0.009467  -0.636114  -0.554450
    20  H    0.015339  -0.097943   0.004105   0.018151   0.015260  -0.032612
    21  H   -0.005885   0.000470   0.001802  -0.004825  -0.101641   0.026914
    22  H    0.033938   0.031497  -0.012130   0.003054   0.037619   0.011879
    23  H   -0.001641  -0.195422  -0.017407   0.012814   0.020422  -0.012497
    24  H   -0.000137  -0.031137  -0.086171   0.024596   0.018314  -0.035073
    25  H   -0.000164   0.002077   0.001776   0.000094   0.001800  -0.000095
    26  H    0.000012   0.002542   0.000064   0.000173   0.002680  -0.000215
    27  H   -0.000285  -0.000965  -0.001895  -0.000133  -0.017026   0.005358
              19         20         21         22         23         24
     1  C    0.150540  -0.057031  -0.011525   0.086127   0.010089   0.024616
     2  C   -0.201281   0.533936   0.011879  -0.321620  -0.148160   0.075694
     3  C    0.190637  -0.355785   0.043238   0.277489   0.864062  -0.634355
     4  C    0.013487   0.156618  -0.016214  -0.109269  -2.231537   1.069814
     5  C    0.030281   0.001880  -0.004037   0.008624  -0.670456  -2.242512
     6  C    0.011831   0.004312  -0.012630   0.001522   0.316340   0.081710
     7  O   -0.000209  -0.000108   0.000156  -0.000016  -0.012085  -0.084877
     8  C    0.107486  -0.124006   0.417853   0.089541   0.009900  -0.001508
     9  C    0.029559  -0.128908  -0.088115   0.167770   0.100364  -0.029240
    10  C   -0.120586   0.195482  -0.029389  -0.067544  -0.093041   0.298265
    11  C    0.005280   0.001924   0.000945  -0.001058  -0.114822  -0.042554
    12  H    0.041853  -0.070399   0.003978  -0.031316   0.006523   0.000852
    13  H   -0.087861   0.015339  -0.005885   0.033938  -0.001641  -0.000137
    14  H    0.005746  -0.097943   0.000470   0.031497  -0.195422  -0.031137
    15  H    0.027419   0.004105   0.001802  -0.012130  -0.017407  -0.086171
    16  H   -0.009467   0.018151  -0.004825   0.003054   0.012814   0.024596
    17  H   -0.636114   0.015260  -0.101641   0.037619   0.020422   0.018314
    18  H   -0.554450  -0.032612   0.026914   0.011879  -0.012497  -0.035073
    19  H    2.193680   0.021904   0.018806  -0.050832   0.000746   0.004801
    20  H    0.021904   2.084381  -0.493471  -0.462745   0.038273   0.003500
    21  H    0.018806  -0.493471   1.746869  -0.344510  -0.068307  -0.008826
    22  H   -0.050832  -0.462745  -0.344510   1.753724  -0.008705   0.002075
    23  H    0.000746   0.038273  -0.068307  -0.008705   4.046738   0.283165
    24  H    0.004801   0.003500  -0.008826   0.002075   0.283165   3.082841
    25  H   -0.000082   0.000044   0.000445  -0.000111  -0.059763  -0.018928
    26  H    0.000014   0.000129  -0.000049   0.000051   0.000121   0.010589
    27  H    0.000958   0.000006   0.000409  -0.000019  -0.034373  -0.013028
              25         26         27
     1  C   -0.002845  -0.000714   0.000122
     2  C    0.008021  -0.002055   0.003297
     3  C   -0.048913   0.010732  -0.010301
     4  C    0.089057  -0.046475   0.035522
     5  C   -0.213955   0.385964  -0.191965
     6  C    0.060889  -0.012534   0.034274
     7  O    0.022920  -0.048307   0.024648
     8  C   -0.000665   0.001078   0.001789
     9  C   -0.004661  -0.000186   0.000246
    10  C   -0.002873   0.003486  -0.018155
    11  C    0.413481  -0.070190   0.432675
    12  H   -0.000007   0.000029   0.000095
    13  H   -0.000164   0.000012  -0.000285
    14  H    0.002077   0.002542  -0.000965
    15  H    0.001776   0.000064  -0.001895
    16  H    0.000094   0.000173  -0.000133
    17  H    0.001800   0.002680  -0.017026
    18  H   -0.000095  -0.000215   0.005358
    19  H   -0.000082   0.000014   0.000958
    20  H    0.000044   0.000129   0.000006
    21  H    0.000445  -0.000049   0.000409
    22  H   -0.000111   0.000051  -0.000019
    23  H   -0.059763   0.000121  -0.034373
    24  H   -0.018928   0.010589  -0.013028
    25  H    1.133285  -0.299349  -0.105815
    26  H   -0.299349   1.636194  -0.331216
    27  H   -0.105815  -0.331216   1.162205
 Mulliken charges:
               1
     1  C    1.167687
     2  C   -2.005022
     3  C    0.953765
     4  C    0.537600
     5  C    1.409267
     6  C   -0.468620
     7  O   -0.251388
     8  C    1.129483
     9  C    1.520967
    10  C    0.975499
    11  C    0.551423
    12  H   -0.499086
    13  H   -0.411409
    14  H   -0.520117
    15  H   -0.677219
    16  H   -0.353770
    17  H   -0.213654
    18  H   -0.211160
    19  H   -0.194147
    20  H   -0.272234
    21  H   -0.084340
    22  H   -0.095035
    23  H   -1.041344
    24  H   -0.752486
    25  H    0.024335
    26  H   -0.242568
    27  H    0.023573
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.548727
     2  C   -2.005022
     3  C    0.433648
     4  C   -0.503744
     5  C    0.656781
     6  C   -0.468620
     7  O   -0.251388
     8  C    0.677875
     9  C    0.610472
    10  C   -0.055490
    11  C    0.356762
 Electronic spatial extent (au):  <R**2>=           2424.7397
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -3.5171    Y=              2.1287    Z=             -1.1617  Tot=              4.2721
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -82.0010   YY=            -68.5835   ZZ=            -68.7938
   XY=              8.6089   XZ=             -3.5259   YZ=              0.3652
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -8.8749   YY=              4.5426   ZZ=              4.3323
   XY=              8.6089   XZ=             -3.5259   YZ=              0.3652
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -54.6116  YYY=             -0.4924  ZZZ=             -0.4011  XYY=              1.8733
  XXY=             32.4051  XXZ=            -14.5877  XZZ=             -0.5962  YZZ=             -0.4634
  YYZ=             -0.3885  XYZ=              1.5790
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2679.9630 YYYY=           -570.2017 ZZZZ=           -300.3033 XXXY=            120.5472
 XXXZ=            -58.1630 YYYX=              2.9915 YYYZ=              1.7444 ZZZX=              5.1930
 ZZZY=             -3.8811 XXYY=           -518.4405 XXZZ=           -450.2526 YYZZ=           -143.6732
 XXYZ=             17.8077 YYXZ=             -1.4597 ZZXY=              4.5115
 N-N= 6.118258063864D+02 E-N=-2.304392633967D+03  KE= 4.625413905144D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 23:28:38 2021, MaxMem=  5368709120 cpu:               4.5 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.36998274D+00 7.76974834D-01-4.37281448D-01
 Polarizability= 1.56905145D+02-4.62895229D+00 1.14848454D+02
                 5.96253885D+00-2.88982289D+00 9.71737064D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -3.2598   -3.2589       -3.0600   -3.0570
 2      3.2598    3.2589        1.5164    1.5128      -22.5543  -22.5592
 3      3.0600    3.0570       31.3805   31.3934       -1.5153   -1.5128
 4     -1.5164   -1.5128       -0.0000    0.0000        3.0585    3.0570
 5     -8.8261   -8.8342       -3.0585   -3.0570       -3.2493   -3.2589
 6      1.5153    1.5128        3.2493    3.2589        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        9.7768    9.7768       -9.1710   -9.1710
 2     -4.5383   -4.5383       -0.0000    0.0000       -9.1710   -9.1710
 3     -4.5383   -4.5383        9.7768    9.7768       -0.0000    0.0000
 4      9.7768    9.7768        4.5383    4.5383      -67.6777  -67.6777
 5      9.1710    9.1710       94.1803   94.1803       -4.5383   -4.5383
 6    -26.5025  -26.5025       -9.1710   -9.1710       -9.7768   -9.7768
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1175    0.0000       13.2962   13.0357       12.7904   12.2280
 2    -13.4192  -13.0357       -6.2560   -6.0510       90.3295   90.2370
 3    -12.4302  -12.2280     -125.6418 -125.5737        5.9934    6.0510
 4      5.8462    6.0510       -0.0702    0.0000      -12.3500  -12.2280
 5     35.4514   35.3367       12.0265   12.2280       13.1295   13.0357
 6     -6.3262   -6.0510      -13.0817  -13.0357        0.0617    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.4221    0.0000      -10.4362  -10.9235      -38.5669  -39.0194
 2     10.5547   10.9235      -14.7920  -15.3168       33.5121   33.7613
 3     39.1699   39.0194       19.1076   18.9466       14.9252   15.3168
 4     15.1668   15.3168       -0.3802    0.0000       38.9818   39.0194
 5    -52.8319  -52.7078      -39.4774  -39.0194      -10.8696  -10.9235
 6    -15.0467  -15.3168       11.2680   10.9235       -0.1306    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     33.1484   33.5913       25.3838   25.4358       36.2433   36.7583
 2     53.5479   54.0345       15.9633   16.3080       36.5753   36.7583
 3     53.6983   54.0345       24.8874   25.4358       54.2367   54.2186
 4      8.7103    9.1278      -20.2889  -20.4432       50.9196   50.5100
 5     16.8943   17.4603       40.0381   39.3633       19.8465   20.4432
 6    -89.4836  -89.8734      -17.7243  -17.4603       -9.1033   -9.1278
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.5795    0.0008    0.0009    0.0010    2.2632    3.8412
 Low frequencies ---   36.0362   72.0154   86.3935
 Diagonal vibrational polarizability:
       18.1978546      10.1812590      66.2084768
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     36.0333                72.0150                86.3932
 Red. masses --      3.8528                 3.2735                 3.1515
 Frc consts  --      0.0029                 0.0100                 0.0139
 IR Inten    --      3.4167                 0.1986                 1.4861
 RamAct Fr= 1--      1.6011                 0.8940                 0.1514
  Dep-P Fr= 1--      0.7498                 0.6071                 0.7038
  Dep-U Fr= 1--      0.8570                 0.7555                 0.8261
 Alpha2 Fr= 1--      0.0000                 0.0024                 0.0001
 Beta2  Fr= 1--      0.2287                 0.1126                 0.0208
 AlphaG Fr= 1--     -0.0003                -0.0104                 0.0001
 Gamma2 Fr= 1--      0.8698                 0.2640                -0.0768
 Delta2 Fr= 1--      0.5249                 0.2449                -0.0660
 Raman1 Fr= 1--       6.404                  3.576                  0.606
 ROA1   Fr= 1--     100.295                 33.185                 -9.483
 CID1   Fr= 1--      15.660                  9.280                -15.658
 Raman2 Fr= 1--       2.744                  1.351                  0.250
 ROA2   Fr= 1--      16.675                  4.377                 -1.315
 CID2   Fr= 1--       6.076                  3.240                 -5.255
 Raman3 Fr= 1--       5.488                  2.702                  0.500
 ROA3   Fr= 1--     100.295                 33.185                 -9.483
 CID3   Fr= 1--      18.274                 12.283                -18.954
 RC180  Fr= 1--       0.714                  0.511                  0.652
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.12   0.04     0.23   0.04  -0.07    -0.02  -0.11   0.03
     2   6     0.03  -0.02   0.03     0.07   0.00  -0.01     0.02  -0.00  -0.01
     3   6    -0.01   0.01  -0.06    -0.03  -0.06  -0.10     0.00  -0.09   0.04
     4   6    -0.00  -0.01  -0.09    -0.02  -0.08  -0.14     0.00  -0.11   0.03
     5   6    -0.03   0.02   0.03    -0.02  -0.05  -0.09     0.02  -0.06   0.07
     6   6    -0.03   0.03   0.04    -0.06   0.01   0.03     0.01   0.03  -0.01
     7   8    -0.09   0.09   0.26    -0.05   0.04   0.04     0.09   0.10  -0.07
     8   6     0.04   0.05   0.13     0.05   0.01   0.03     0.20   0.12  -0.02
     9   6    -0.00  -0.00  -0.04     0.03   0.03   0.11    -0.11   0.06  -0.09
    10   6    -0.02  -0.00  -0.11    -0.05  -0.03  -0.03    -0.10  -0.05   0.07
    11   6     0.03  -0.05  -0.25    -0.14   0.06   0.18    -0.12   0.06  -0.03
    12   1    -0.02   0.06  -0.03    -0.07   0.03   0.21    -0.01   0.12  -0.20
    13   1     0.01  -0.05  -0.05     0.14   0.07   0.18    -0.27   0.10  -0.15
    14   1    -0.06   0.07  -0.03    -0.09  -0.06  -0.08     0.02  -0.12   0.03
    15   1    -0.01  -0.06  -0.14     0.03  -0.06  -0.09    -0.20  -0.02   0.15
    16   1    -0.06   0.04  -0.15    -0.17  -0.04  -0.02    -0.07  -0.09   0.11
    17   1     0.12  -0.14   0.07     0.25   0.02  -0.17     0.08  -0.18   0.11
    18   1     0.08  -0.17  -0.04     0.25   0.04  -0.10    -0.15  -0.19   0.04
    19   1     0.12  -0.14   0.08     0.30   0.09   0.00    -0.04  -0.04  -0.01
    20   1    -0.00   0.12   0.12    -0.07  -0.02   0.08     0.22   0.20  -0.05
    21   1     0.06   0.04   0.17     0.07  -0.02  -0.08     0.33   0.04   0.04
    22   1     0.07   0.03   0.18     0.13   0.07   0.11     0.20   0.22  -0.07
    23   1     0.03  -0.04  -0.20    -0.02  -0.08  -0.15    -0.01  -0.12  -0.02
    24   1    -0.06   0.06   0.16    -0.01  -0.06  -0.09     0.07  -0.05   0.12
    25   1     0.10  -0.27  -0.30    -0.14   0.18   0.20    -0.19   0.05  -0.01
    26   1     0.02  -0.04  -0.22    -0.15   0.10   0.21    -0.12   0.14  -0.08
    27   1     0.02   0.10  -0.43    -0.18  -0.04   0.25    -0.14   0.02   0.01
                      4                      5                      6
                      A                      A                      A
 Frequencies --    124.5737               152.0711               166.1082
 Red. masses --      1.0291                 3.3303                 2.6395
 Frc consts  --      0.0094                 0.0454                 0.0429
 IR Inten    --      0.0277                 1.0902                 1.9110
 RamAct Fr= 1--      0.0714                 0.5445                 0.5720
  Dep-P Fr= 1--      0.6657                 0.7284                 0.6977
  Dep-U Fr= 1--      0.7993                 0.8429                 0.8220
 Alpha2 Fr= 1--      0.0001                 0.0002                 0.0005
 Beta2  Fr= 1--      0.0095                 0.0765                 0.0784
 AlphaG Fr= 1--     -0.0003                -0.0058                 0.0015
 Gamma2 Fr= 1--     -0.0208                -0.4178                 0.5248
 Delta2 Fr= 1--      0.0265                -0.0305                -0.0796
 Raman1 Fr= 1--       0.285                  2.178                  2.288
 ROA1   Fr= 1--      -1.147                -41.088                 47.838
 CID1   Fr= 1--      -4.019                -18.865                 20.909
 Raman2 Fr= 1--       0.114                  0.918                  0.940
 ROA2   Fr= 1--      -0.712                 -9.785                 13.233
 CID2   Fr= 1--      -6.238                -10.660                 14.074
 Raman3 Fr= 1--       0.228                  1.836                  1.881
 ROA3   Fr= 1--      -1.147                -41.088                 47.838
 CID3   Fr= 1--      -5.029                -22.382                 25.438
 RC180  Fr= 1--       0.599                  0.686                  0.644
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.07   0.01  -0.04     0.02  -0.10  -0.01
     2   6     0.00   0.00   0.00     0.01  -0.01  -0.01    -0.01  -0.02  -0.03
     3   6    -0.00  -0.00   0.00     0.00   0.00  -0.05    -0.02  -0.04  -0.02
     4   6    -0.00  -0.00   0.01     0.00  -0.01  -0.02    -0.03   0.07  -0.16
     5   6     0.00  -0.00  -0.00    -0.09   0.09   0.36    -0.06   0.12  -0.01
     6   6    -0.00   0.00   0.01    -0.02   0.02   0.08    -0.03   0.03  -0.01
     7   8     0.01  -0.01  -0.03     0.03  -0.05  -0.16    -0.11  -0.06  -0.03
     8   6     0.00   0.00   0.00    -0.03  -0.02   0.01     0.04   0.04   0.03
     9   6    -0.00   0.00   0.01     0.02  -0.01   0.01    -0.00  -0.02  -0.05
    10   6    -0.00  -0.00   0.00    -0.02  -0.01  -0.10     0.09  -0.00   0.19
    11   6    -0.01   0.00   0.01    -0.01  -0.00  -0.00     0.09   0.01   0.06
    12   1    -0.00   0.00   0.01    -0.05   0.01   0.07     0.15  -0.07  -0.19
    13   1     0.00   0.00   0.01     0.10  -0.02   0.04    -0.17   0.02  -0.11
    14   1     0.00   0.00   0.00     0.01   0.05  -0.05    -0.11  -0.20  -0.02
    15   1    -0.00  -0.00  -0.00     0.01  -0.09  -0.15     0.04   0.24   0.33
    16   1    -0.01   0.00  -0.00    -0.07   0.05  -0.15     0.24  -0.17   0.35
    17   1     0.00   0.00  -0.00     0.07   0.01  -0.08     0.06  -0.12   0.02
    18   1     0.00   0.00   0.00     0.10   0.01  -0.06    -0.01  -0.13  -0.04
    19   1     0.00   0.01   0.00     0.10   0.02  -0.01     0.03  -0.09  -0.00
    20   1    -0.00  -0.00   0.00    -0.06  -0.04   0.02     0.02   0.10   0.01
    21   1     0.00  -0.00  -0.00    -0.05  -0.01  -0.02     0.07   0.02   0.07
    22   1     0.00   0.01   0.00    -0.01  -0.04   0.04     0.05   0.05   0.04
    23   1    -0.01   0.00   0.03     0.09  -0.12  -0.37    -0.05   0.02  -0.34
    24   1     0.01  -0.01  -0.03    -0.15   0.18   0.66    -0.11   0.17   0.12
    25   1     0.53  -0.21  -0.14    -0.04  -0.06  -0.01     0.17   0.06   0.06
    26   1    -0.13   0.15   0.52     0.01  -0.02  -0.07     0.09  -0.07   0.13
    27   1    -0.40   0.05  -0.43     0.03   0.05  -0.02     0.10   0.03   0.05
                      7                      8                      9
                      A                      A                      A
 Frequencies --    216.3733               240.6081               253.3285
 Red. masses --      1.3816                 2.2606                 1.7595
 Frc consts  --      0.0381                 0.0771                 0.0665
 IR Inten    --      0.3553                 0.7264                 0.0499
 RamAct Fr= 1--      0.6172                 2.1219                 1.8283
  Dep-P Fr= 1--      0.6980                 0.1976                 0.2352
  Dep-U Fr= 1--      0.8221                 0.3300                 0.3808
 Alpha2 Fr= 1--      0.0006                 0.0290                 0.0226
 Beta2  Fr= 1--      0.0846                 0.1167                 0.1160
 AlphaG Fr= 1--      0.0036                 0.0003                 0.0149
 Gamma2 Fr= 1--     -0.0565                 0.1470                -0.1744
 Delta2 Fr= 1--      0.0154                 0.1266                 0.1733
 Raman1 Fr= 1--       2.469                  8.488                  7.313
 ROA1   Fr= 1--      -4.930                 18.163                -11.195
 CID1   Fr= 1--      -1.997                  2.140                 -1.531
 Raman2 Fr= 1--       1.015                  1.400                  1.393
 ROA2   Fr= 1--      -1.479                  2.515                 -5.571
 CID2   Fr= 1--      -1.457                  1.796                 -4.000
 Raman3 Fr= 1--       2.030                  2.801                  2.785
 ROA3   Fr= 1--      -4.930                 18.163                -11.195
 CID3   Fr= 1--      -2.429                  6.485                 -4.019
 RC180  Fr= 1--       0.644                 -0.340                 -0.238
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02  -0.03     0.01  -0.01  -0.01    -0.01   0.01   0.04
     2   6     0.00   0.03  -0.02    -0.03  -0.02   0.01     0.04  -0.02   0.03
     3   6     0.02   0.00  -0.01    -0.05  -0.06   0.01     0.01   0.03   0.01
     4   6     0.03  -0.04  -0.03    -0.03  -0.02  -0.01    -0.02   0.06   0.02
     5   6     0.02  -0.05   0.01     0.04   0.07  -0.03    -0.05   0.02  -0.00
     6   6     0.01  -0.02   0.00     0.07   0.07  -0.01    -0.07  -0.00  -0.00
     7   8     0.04   0.01   0.01     0.01   0.02   0.00    -0.08  -0.03  -0.02
     8   6    -0.10   0.00   0.06    -0.01  -0.03  -0.02     0.12  -0.01  -0.06
     9   6    -0.00   0.04  -0.04    -0.09   0.01   0.06     0.07  -0.04   0.05
    10   6     0.01   0.02   0.04    -0.15  -0.06  -0.04     0.07  -0.00  -0.04
    11   6    -0.05  -0.01   0.00     0.21   0.05   0.04    -0.07  -0.01  -0.02
    12   1     0.05   0.04  -0.10    -0.17   0.04   0.13     0.02  -0.07   0.11
    13   1    -0.08   0.05  -0.07    -0.02   0.04   0.10     0.15  -0.06   0.08
    14   1     0.02  -0.03  -0.02    -0.04  -0.03   0.01    -0.01   0.05   0.03
    15   1    -0.01   0.09   0.09    -0.14  -0.19  -0.10     0.11  -0.04  -0.08
    16   1     0.05  -0.03   0.09    -0.26   0.01  -0.10     0.05   0.04  -0.08
    17   1     0.12  -0.05  -0.06     0.27  -0.20  -0.07     0.28  -0.20   0.02
    18   1    -0.05  -0.02   0.00    -0.25  -0.13   0.11    -0.34  -0.12   0.23
    19   1     0.05   0.12  -0.04     0.04   0.31  -0.08    -0.04   0.36  -0.10
    20   1     0.25   0.18  -0.12     0.17   0.02  -0.10     0.43   0.06  -0.20
    21   1    -0.34   0.22   0.49    -0.06   0.03   0.15     0.11   0.03   0.20
    22   1    -0.35  -0.44  -0.10    -0.13  -0.15  -0.13    -0.07  -0.12  -0.29
    23   1     0.07  -0.06  -0.07    -0.11  -0.01  -0.04    -0.03   0.07   0.06
    24   1     0.01  -0.04   0.05     0.10   0.06  -0.01    -0.08   0.02  -0.05
    25   1    -0.05  -0.02   0.00     0.26   0.10   0.04    -0.09  -0.03  -0.02
    26   1    -0.05   0.03   0.00     0.22  -0.07   0.08    -0.07   0.01  -0.04
    27   1    -0.08  -0.04   0.00     0.26   0.09   0.04    -0.07  -0.00  -0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    268.4929               284.1120               355.9930
 Red. masses --      1.6473                 1.5031                 2.2780
 Frc consts  --      0.0700                 0.0715                 0.1701
 IR Inten    --      0.1351                 0.1675                 0.0425
 RamAct Fr= 1--      1.2671                 1.5638                 1.3668
  Dep-P Fr= 1--      0.1101                 0.2058                 0.5104
  Dep-U Fr= 1--      0.1984                 0.3413                 0.6759
 Alpha2 Fr= 1--      0.0216                 0.0209                 0.0064
 Beta2  Fr= 1--      0.0419                 0.0890                 0.1540
 AlphaG Fr= 1--      0.0369                 0.0412                -0.0192
 Gamma2 Fr= 1--      0.4267                -0.7103                 0.1716
 Delta2 Fr= 1--      0.1051                -0.1039                 0.0910
 Raman1 Fr= 1--       5.068                  6.255                  5.467
 ROA1   Fr= 1--      44.326                -71.515                 19.383
 CID1   Fr= 1--       8.746                -11.433                  3.545
 Raman2 Fr= 1--       0.503                  1.068                  1.848
 ROA2   Fr= 1--       9.400                -16.217                  3.389
 CID2   Fr= 1--      18.696                -15.190                  1.834
 Raman3 Fr= 1--       1.006                  2.135                  3.695
 ROA3   Fr= 1--      44.326                -71.515                 19.383
 CID3   Fr= 1--      44.078                -33.493                  5.246
 RC180  Fr= 1--      -0.603                 -0.317                  0.352
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12  -0.03  -0.09     0.09  -0.03  -0.05    -0.04   0.20  -0.04
     2   6    -0.02  -0.01  -0.04     0.01  -0.01  -0.02    -0.00  -0.07   0.02
     3   6     0.00   0.01   0.01    -0.01  -0.02   0.01    -0.00  -0.07   0.01
     4   6    -0.03   0.05   0.14    -0.05   0.05   0.12    -0.03  -0.03   0.01
     5   6    -0.01   0.00   0.02    -0.02   0.03   0.01    -0.01   0.00   0.00
     6   6    -0.01   0.00   0.02    -0.03   0.02   0.01    -0.02   0.02  -0.00
     7   8    -0.00  -0.00  -0.01    -0.04  -0.01  -0.02    -0.03  -0.00  -0.01
     8   6    -0.06  -0.00   0.02     0.05   0.00  -0.04     0.07   0.05   0.14
     9   6    -0.02  -0.01  -0.06    -0.02   0.00   0.01     0.00  -0.10  -0.09
    10   6     0.02   0.00   0.03    -0.02  -0.03   0.01     0.02  -0.09  -0.04
    11   6    -0.01  -0.01  -0.02     0.02   0.01  -0.02     0.03   0.01  -0.00
    12   1     0.05  -0.01  -0.12    -0.02  -0.00   0.01     0.08  -0.02  -0.18
    13   1    -0.10  -0.01  -0.09    -0.02   0.03   0.02    -0.11  -0.18  -0.17
    14   1     0.09  -0.02  -0.02     0.05  -0.04  -0.00    -0.02  -0.05   0.02
    15   1    -0.01   0.06   0.07    -0.03  -0.05   0.01    -0.01  -0.08  -0.01
    16   1     0.08  -0.03   0.06    -0.04  -0.02   0.01     0.07  -0.08  -0.06
    17   1     0.44  -0.26  -0.21    -0.21   0.19  -0.05    -0.15   0.27  -0.28
    18   1    -0.15  -0.18  -0.01     0.45   0.11  -0.26     0.06   0.40   0.18
    19   1     0.22   0.37  -0.09     0.14  -0.40   0.13    -0.07   0.30  -0.11
    20   1    -0.28  -0.05   0.12     0.29   0.10  -0.16     0.00   0.26   0.11
    21   1    -0.02  -0.05  -0.17    -0.01   0.07   0.22     0.16  -0.00   0.29
    22   1     0.08   0.11   0.17    -0.11  -0.15  -0.19     0.12   0.05   0.23
    23   1    -0.06   0.10   0.32    -0.12   0.10   0.28    -0.07  -0.01   0.04
    24   1     0.02  -0.04  -0.14     0.01  -0.01  -0.14     0.03  -0.00  -0.02
    25   1    -0.04  -0.05  -0.03     0.01  -0.02  -0.02     0.04   0.02  -0.00
    26   1    -0.00  -0.01  -0.06     0.03  -0.03  -0.04     0.03  -0.03   0.00
    27   1     0.01   0.02  -0.03     0.06   0.05  -0.03     0.05   0.04  -0.00
                     13                     14                     15
                      A                      A                      A
 Frequencies --    374.3030               447.5729               472.0920
 Red. masses --      2.2013                 2.5776                 2.9677
 Frc consts  --      0.1817                 0.3042                 0.3897
 IR Inten    --      0.3700                 0.0886                 1.9320
 RamAct Fr= 1--      0.3247                 1.2840                 0.3198
  Dep-P Fr= 1--      0.7478                 0.2759                 0.2984
  Dep-U Fr= 1--      0.8557                 0.4325                 0.4597
 Alpha2 Fr= 1--      0.0000                 0.0141                 0.0033
 Beta2  Fr= 1--      0.0463                 0.0926                 0.0245
 AlphaG Fr= 1--      0.0005                 0.0350                -0.0127
 Gamma2 Fr= 1--      0.1803                -0.2031                 0.3084
 Delta2 Fr= 1--      0.1236                -0.3539                -0.0490
 Raman1 Fr= 1--       1.299                  5.136                  1.279
 ROA1   Fr= 1--      21.266                -30.822                 28.040
 CID1   Fr= 1--      16.373                 -6.001                 21.919
 Raman2 Fr= 1--       0.556                  1.111                  0.294
 ROA2   Fr= 1--       3.339                 -2.043                  7.794
 CID2   Fr= 1--       6.008                 -1.840                 26.512
 Raman3 Fr= 1--       1.111                  2.221                  0.588
 ROA3   Fr= 1--      21.266                -30.822                 28.040
 CID3   Fr= 1--      19.134                -13.875                 47.687
 RC180  Fr= 1--       0.711                 -0.135                 -0.081
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10  -0.06  -0.11    -0.06  -0.00   0.04    -0.02   0.00  -0.03
     2   6    -0.05   0.00  -0.13     0.18   0.05  -0.07     0.03  -0.03  -0.03
     3   6    -0.01  -0.02  -0.08     0.09  -0.10  -0.07     0.05  -0.05   0.03
     4   6    -0.01  -0.01   0.03     0.01  -0.04   0.04     0.03   0.17  -0.04
     5   6     0.00  -0.01   0.02     0.00  -0.01   0.02     0.07   0.20  -0.04
     6   6     0.01  -0.00   0.03    -0.07   0.06   0.04     0.14  -0.04   0.04
     7   8     0.04   0.01  -0.00    -0.12  -0.02  -0.05     0.06  -0.14   0.06
     8   6    -0.01   0.16   0.05    -0.02  -0.05   0.04     0.01  -0.02   0.03
     9   6     0.05  -0.05   0.13     0.08   0.15  -0.01    -0.04   0.03   0.01
    10   6     0.04  -0.00   0.02    -0.02  -0.06   0.01    -0.07  -0.08   0.01
    11   6     0.01  -0.01  -0.00     0.02   0.04  -0.02    -0.13  -0.01  -0.02
    12   1    -0.12  -0.30   0.33     0.08   0.21  -0.02    -0.07   0.04   0.04
    13   1     0.31   0.10   0.30     0.02   0.26   0.00    -0.03   0.09   0.04
    14   1     0.07  -0.09  -0.11     0.11  -0.13  -0.08     0.04  -0.12   0.02
    15   1     0.15   0.02  -0.04    -0.03  -0.10  -0.00    -0.13  -0.23  -0.02
    16   1    -0.03  -0.02   0.04    -0.16  -0.08   0.04    -0.17  -0.00  -0.06
    17   1    -0.08  -0.07  -0.01    -0.08   0.03   0.30    -0.05   0.02  -0.03
    18   1    -0.16  -0.11  -0.11    -0.18  -0.03   0.16    -0.02   0.03   0.02
    19   1    -0.15  -0.09  -0.17    -0.26  -0.08  -0.20    -0.06   0.00  -0.08
    20   1    -0.09   0.41   0.00    -0.20  -0.11   0.13    -0.06   0.02   0.05
    21   1     0.08   0.11   0.22    -0.24   0.08  -0.08    -0.03   0.00   0.04
    22   1     0.06   0.13   0.16     0.06  -0.24   0.24     0.04  -0.07   0.11
    23   1    -0.02   0.01   0.12    -0.08   0.02   0.23    -0.16   0.18  -0.11
    24   1     0.03  -0.04  -0.06     0.10  -0.06  -0.14    -0.08   0.21  -0.06
    25   1    -0.01  -0.04  -0.01     0.02  -0.02  -0.03    -0.33  -0.17  -0.02
    26   1     0.02  -0.01  -0.03     0.04  -0.05  -0.06    -0.17   0.41  -0.15
    27   1     0.03   0.01  -0.01     0.10   0.15  -0.06    -0.34  -0.20  -0.03
                     16                     17                     18
                      A                      A                      A
 Frequencies --    523.0297               570.5475               596.2488
 Red. masses --      2.8563                 3.0336                 2.6852
 Frc consts  --      0.4604                 0.5818                 0.5625
 IR Inten    --      5.8091                13.4574                 4.6790
 RamAct Fr= 1--      1.0000                 3.3797                 9.5113
  Dep-P Fr= 1--      0.5925                 0.0641                 0.1034
  Dep-U Fr= 1--      0.7441                 0.1205                 0.1875
 Alpha2 Fr= 1--      0.0029                 0.0645                 0.1651
 Beta2  Fr= 1--      0.1240                 0.0679                 0.2972
 AlphaG Fr= 1--      0.0010                 0.1193                 0.0780
 Gamma2 Fr= 1--      0.6293                -0.1477                -0.0450
 Delta2 Fr= 1--     -0.1469                 0.1389                 0.3312
 Raman1 Fr= 1--       4.000                 13.519                 38.045
 ROA1   Fr= 1--      55.707                 -9.732                  6.277
 CID1   Fr= 1--      13.928                 -0.720                  0.165
 Raman2 Fr= 1--       1.488                  0.814                  3.566
 ROA2   Fr= 1--      16.277                 -4.656                 -3.729
 CID2   Fr= 1--      10.938                 -5.718                 -1.046
 Raman3 Fr= 1--       2.976                  1.629                  7.133
 ROA3   Fr= 1--      55.707                 -9.732                  6.277
 CID3   Fr= 1--      18.717                 -5.976                  0.880
 RC180  Fr= 1--       0.488                 -0.759                 -0.625
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.02   0.05    -0.01  -0.01  -0.04     0.04   0.03   0.09
     2   6     0.03  -0.03   0.03     0.07  -0.01  -0.05    -0.04   0.11   0.03
     3   6    -0.08  -0.00  -0.16     0.03  -0.02   0.06    -0.01  -0.08   0.10
     4   6    -0.08   0.05  -0.07    -0.04   0.14   0.03    -0.04  -0.01  -0.06
     5   6    -0.07   0.03  -0.03    -0.13   0.02   0.01    -0.02   0.02  -0.05
     6   6    -0.02  -0.01   0.20    -0.06  -0.11  -0.16    -0.03   0.01   0.10
     7   8     0.17   0.06  -0.04     0.09   0.17   0.03     0.04   0.02  -0.03
     8   6     0.05  -0.07   0.02     0.02  -0.03   0.02    -0.11   0.17  -0.09
     9   6    -0.02   0.01   0.00     0.03   0.05  -0.01     0.10  -0.03  -0.03
    10   6    -0.02   0.03  -0.00    -0.01  -0.07   0.02     0.07  -0.15   0.00
    11   6     0.01  -0.10   0.03     0.01  -0.16   0.04    -0.00  -0.04   0.02
    12   1     0.01   0.09  -0.03     0.03   0.06  -0.01     0.21  -0.06  -0.14
    13   1    -0.06  -0.03  -0.03    -0.01   0.13   0.01    -0.04  -0.05  -0.10
    14   1    -0.19   0.04  -0.12     0.06  -0.11   0.03    -0.08  -0.19   0.10
    15   1     0.04   0.31   0.08    -0.07  -0.26  -0.03     0.07  -0.46  -0.14
    16   1     0.03  -0.17   0.20    -0.11   0.05  -0.10    -0.10   0.08  -0.23
    17   1    -0.04   0.05   0.07    -0.03   0.01   0.03     0.11  -0.03   0.16
    18   1    -0.02   0.06   0.14    -0.04   0.00   0.01     0.02  -0.08  -0.08
    19   1    -0.07   0.03  -0.04    -0.08  -0.04  -0.12     0.12  -0.01   0.20
    20   1     0.09  -0.11   0.01    -0.06  -0.01   0.05    -0.09   0.10  -0.08
    21   1     0.04  -0.07   0.01    -0.05   0.02   0.02    -0.15   0.18  -0.13
    22   1     0.02  -0.06  -0.03     0.06  -0.12   0.12    -0.14   0.19  -0.13
    23   1    -0.18   0.14   0.23    -0.03   0.10  -0.11    -0.14   0.01  -0.04
    24   1    -0.10  -0.06  -0.37    -0.36   0.08   0.13    -0.04   0.01  -0.10
    25   1    -0.07  -0.39  -0.02     0.21   0.23   0.08    -0.04  -0.23  -0.01
    26   1     0.06  -0.17  -0.15    -0.01  -0.37   0.29     0.03  -0.09  -0.09
    27   1     0.14   0.14  -0.12     0.01  -0.29   0.20     0.08   0.12  -0.08
                     19                     20                     21
                      A                      A                      A
 Frequencies --    631.4745               745.3666               788.7358
 Red. masses --      2.8526                 2.3388                 1.7675
 Frc consts  --      0.6702                 0.7656                 0.6479
 IR Inten    --      1.3393                 0.9071                 0.4471
 RamAct Fr= 1--      3.9433                 6.8090                 3.1778
  Dep-P Fr= 1--      0.0572                 0.0051                 0.0992
  Dep-U Fr= 1--      0.1083                 0.0101                 0.1806
 Alpha2 Fr= 1--      0.0766                 0.1495                 0.0557
 Beta2  Fr= 1--      0.0712                 0.0114                 0.0956
 AlphaG Fr= 1--     -0.2633                -0.1238                -0.1417
 Gamma2 Fr= 1--     -0.9977                 0.1964                -0.3694
 Delta2 Fr= 1--      0.3166                 0.1102                -0.1080
 Raman1 Fr= 1--      15.773                 27.236                 12.711
 ROA1   Fr= 1--     -85.652                 22.382                -38.924
 CID1   Fr= 1--      -5.430                  0.822                 -3.062
 Raman2 Fr= 1--       0.854                  0.137                  1.148
 ROA2   Fr= 1--     -26.478                  3.833                 -8.002
 CID2   Fr= 1--     -31.010                 27.975                 -6.974
 Raman3 Fr= 1--       1.708                  0.274                  2.295
 ROA3   Fr= 1--     -85.652                 22.382                -38.924
 CID3   Fr= 1--     -50.157                 81.679                -16.960
 RC180  Fr= 1--      -0.783                 -0.980                 -0.639
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03  -0.10     0.05   0.04   0.13     0.02   0.01  -0.01
     2   6    -0.02  -0.05  -0.02     0.01  -0.00  -0.01     0.09   0.04  -0.05
     3   6     0.11   0.06   0.15     0.12  -0.05  -0.08    -0.05  -0.02   0.14
     4   6     0.15   0.07  -0.08     0.12   0.07  -0.00    -0.11  -0.06   0.02
     5   6     0.03  -0.06  -0.08     0.05   0.03   0.03    -0.02   0.01  -0.05
     6   6    -0.12   0.04   0.15    -0.05   0.00  -0.03     0.02   0.01   0.02
     7   8    -0.03   0.04  -0.07    -0.04   0.04  -0.01     0.02  -0.01   0.00
     8   6     0.03  -0.05   0.03    -0.06   0.08  -0.05     0.03   0.01  -0.01
     9   6    -0.08   0.01   0.01    -0.09  -0.10  -0.04    -0.04  -0.02  -0.07
    10   6    -0.03   0.03   0.04    -0.07  -0.04  -0.03     0.04   0.05  -0.05
    11   6    -0.02  -0.02   0.03    -0.03  -0.06   0.00     0.01   0.00   0.02
    12   1    -0.14  -0.05   0.09    -0.36  -0.12   0.23    -0.35  -0.05   0.25
    13   1     0.02   0.07   0.07     0.27  -0.18   0.10     0.39  -0.01   0.11
    14   1     0.10  -0.02   0.14     0.17  -0.03  -0.09    -0.06  -0.03   0.14
    15   1    -0.18  -0.25   0.02    -0.26   0.24   0.22    -0.18   0.17   0.15
    16   1    -0.04   0.21  -0.15     0.18  -0.30   0.21     0.46   0.03  -0.05
    17   1    -0.04  -0.03  -0.23     0.05   0.04   0.14     0.01   0.02   0.09
    18   1     0.02   0.01  -0.10     0.06   0.05   0.15    -0.01  -0.01   0.00
    19   1     0.02   0.02  -0.04     0.05   0.05   0.14    -0.04  -0.04  -0.07
    20   1    -0.01   0.02   0.03    -0.07   0.08  -0.04    -0.09  -0.04   0.05
    21   1     0.07  -0.07   0.08    -0.09   0.10  -0.06    -0.17   0.14  -0.06
    22   1     0.07  -0.06   0.09    -0.06   0.07  -0.04     0.07  -0.21   0.14
    23   1     0.27   0.02  -0.18     0.09   0.10   0.09    -0.18  -0.09  -0.17
    24   1    -0.08  -0.04  -0.06     0.00   0.01  -0.07    -0.03   0.06   0.13
    25   1     0.00  -0.32  -0.04     0.04   0.05   0.01    -0.05  -0.12   0.00
    26   1     0.05  -0.27  -0.13    -0.03  -0.17   0.07     0.02   0.06  -0.06
    27   1     0.21   0.34  -0.16     0.01  -0.06   0.05    -0.01   0.03  -0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --    815.1466               867.3137               881.8073
 Red. masses --      3.3642                 1.8419                 1.8032
 Frc consts  --      1.3171                 0.8164                 0.8261
 IR Inten    --      3.7644                 1.4567                 0.5463
 RamAct Fr= 1--     16.0582                10.9031                11.5098
  Dep-P Fr= 1--      0.5371                 0.6188                 0.6546
  Dep-U Fr= 1--      0.6988                 0.7646                 0.7913
 Alpha2 Fr= 1--      0.0659                 0.0262                 0.0197
 Beta2  Fr= 1--      1.8703                 1.3893                 1.5179
 AlphaG Fr= 1--     -0.0465                -0.2844                 0.2873
 Gamma2 Fr= 1--     -1.3849                -8.9138                 7.3640
 Delta2 Fr= 1--     -0.1705                -0.1386                 0.4390
 Raman1 Fr= 1--      64.233                 43.613                 46.039
 ROA1   Fr= 1--    -138.402               -860.162                720.987
 CID1   Fr= 1--      -2.155                -19.723                 15.660
 Raman2 Fr= 1--      22.444                 16.672                 18.215
 ROA2   Fr= 1--     -31.873               -212.823                173.223
 CID2   Fr= 1--      -1.420                -12.765                  9.510
 Raman3 Fr= 1--      44.888                 33.344                 36.430
 ROA3   Fr= 1--    -138.402               -860.162                720.987
 CID3   Fr= 1--      -3.083                -25.796                 19.791
 RC180  Fr= 1--       0.398                  0.529                  0.583
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01   0.04    -0.06  -0.02  -0.02    -0.02  -0.01   0.01
     2   6     0.04  -0.00  -0.03    -0.09  -0.01   0.06    -0.06  -0.03   0.03
     3   6    -0.01   0.04  -0.00     0.05  -0.06   0.04     0.02  -0.02  -0.04
     4   6     0.02   0.11  -0.03     0.01  -0.03  -0.10    -0.04   0.04   0.12
     5   6    -0.18  -0.16   0.01    -0.03   0.02   0.09     0.01  -0.03  -0.12
     6   6     0.01  -0.13   0.04    -0.00  -0.02  -0.01    -0.00  -0.01   0.01
     7   8     0.08  -0.08   0.04     0.01  -0.00   0.01     0.01  -0.01  -0.00
     8   6    -0.00   0.02  -0.02    -0.01  -0.03   0.04    -0.04  -0.02   0.02
     9   6    -0.02  -0.05  -0.02     0.05   0.13  -0.06     0.10   0.10  -0.02
    10   6    -0.03  -0.07   0.03     0.05  -0.02  -0.03    -0.01  -0.07  -0.05
    11   6     0.04   0.28  -0.07     0.01   0.01  -0.03    -0.01   0.03   0.03
    12   1    -0.08  -0.07   0.05    -0.19   0.14   0.19    -0.01   0.19   0.08
    13   1     0.05  -0.02   0.02     0.33   0.18   0.08     0.17   0.11   0.01
    14   1    -0.06  -0.08  -0.01    -0.15  -0.07   0.09     0.17   0.11  -0.06
    15   1    -0.13  -0.12   0.08    -0.16   0.00   0.12    -0.07   0.18   0.10
    16   1    -0.00  -0.06   0.01     0.19  -0.05  -0.01     0.02  -0.31   0.19
    17   1     0.01   0.03   0.09     0.01  -0.08  -0.26     0.00  -0.03  -0.10
    18   1     0.01   0.03   0.08     0.05  -0.01  -0.15     0.03   0.00  -0.03
    19   1    -0.03  -0.01  -0.03     0.14   0.09   0.20     0.06   0.04   0.10
    20   1    -0.04   0.02  -0.00     0.08  -0.04   0.00     0.06   0.05  -0.04
    21   1    -0.07   0.07  -0.03     0.14  -0.14   0.05     0.16  -0.15   0.07
    22   1     0.01  -0.05   0.03    -0.04   0.14  -0.08    -0.05   0.19  -0.10
    23   1     0.21   0.10   0.06    -0.13   0.10   0.31     0.05  -0.10  -0.39
    24   1    -0.51  -0.15  -0.09     0.03  -0.10  -0.37    -0.17   0.13   0.44
    25   1     0.14   0.36  -0.07     0.04   0.18  -0.00    -0.01  -0.15  -0.01
    26   1     0.05   0.23  -0.04    -0.01   0.02   0.07     0.02  -0.02  -0.09
    27   1     0.13   0.34  -0.05    -0.02  -0.10   0.07     0.06   0.19  -0.09
                     25                     26                     27
                      A                      A                      A
 Frequencies --    916.8626               950.5275               957.6920
 Red. masses --      2.1259                 2.0932                 1.9187
 Frc consts  --      1.0530                 1.1143                 1.0369
 IR Inten    --      0.4332                 4.0102                 5.4447
 RamAct Fr= 1--     11.2556                 1.5370                15.0252
  Dep-P Fr= 1--      0.4492                 0.6704                 0.4530
  Dep-U Fr= 1--      0.6199                 0.8027                 0.6235
 Alpha2 Fr= 1--      0.0692                 0.0022                 0.0910
 Beta2  Fr= 1--      1.1629                 0.2056                 1.5614
 AlphaG Fr= 1--      0.2477                -0.0199                 0.1722
 Gamma2 Fr= 1--      1.7527                 2.3995                 3.1560
 Delta2 Fr= 1--     -1.1157                 0.5292                 0.8647
 Raman1 Fr= 1--      45.022                  6.148                 60.101
 ROA1   Fr= 1--     132.553                247.291                330.643
 CID1   Fr= 1--       2.944                 40.223                  5.501
 Raman2 Fr= 1--      13.954                  2.467                 18.737
 ROA2   Fr= 1--      50.989                 53.356                 68.826
 CID2   Fr= 1--       3.654                 21.624                  3.673
 Raman3 Fr= 1--      27.909                  4.935                 37.474
 ROA3   Fr= 1--     132.553                247.291                330.643
 CID3   Fr= 1--       4.749                 50.111                  8.823
 RC180  Fr= 1--       0.240                  0.605                  0.247
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02   0.14    -0.02   0.07   0.00    -0.01   0.07   0.08
     2   6    -0.07  -0.06  -0.07    -0.03   0.07  -0.01    -0.03   0.01  -0.09
     3   6     0.06  -0.09  -0.07     0.07  -0.05  -0.00    -0.10   0.12   0.00
     4   6    -0.05  -0.01   0.03    -0.04  -0.02   0.00     0.03   0.01  -0.01
     5   6    -0.02  -0.00  -0.03    -0.02   0.02  -0.01     0.01  -0.02   0.01
     6   6    -0.00  -0.01   0.00    -0.00  -0.02   0.00     0.02   0.04  -0.01
     7   8     0.01  -0.00   0.00     0.01  -0.00   0.00    -0.02   0.01  -0.01
     8   6    -0.01  -0.05  -0.02     0.02  -0.07   0.01     0.04  -0.09  -0.04
     9   6    -0.11   0.06  -0.01     0.14  -0.07  -0.06     0.01   0.02  -0.05
    10   6     0.11   0.12   0.02    -0.14   0.15   0.05    -0.00  -0.12   0.02
    11   6     0.00   0.02   0.00     0.00   0.01  -0.00     0.02  -0.03   0.01
    12   1    -0.10  -0.23   0.00     0.14  -0.16  -0.05    -0.05  -0.20   0.03
    13   1    -0.08   0.31   0.08     0.28  -0.39  -0.11     0.06   0.32   0.07
    14   1     0.24  -0.35  -0.16     0.15  -0.13  -0.03    -0.17   0.15   0.03
    15   1     0.15  -0.19  -0.15    -0.24  -0.02   0.05     0.04  -0.06   0.02
    16   1     0.03   0.38  -0.25    -0.33   0.16   0.06    -0.05  -0.16   0.06
    17   1     0.00   0.03  -0.03     0.15  -0.04   0.21     0.16  -0.04   0.17
    18   1     0.11   0.11   0.21    -0.08  -0.16  -0.31    -0.00  -0.10  -0.21
    19   1     0.09   0.11   0.18     0.09  -0.07   0.19     0.16   0.00   0.32
    20   1    -0.07   0.15  -0.05    -0.03   0.11  -0.02    -0.19   0.28  -0.06
    21   1     0.12  -0.12   0.12     0.13  -0.12   0.15     0.09  -0.09   0.22
    22   1     0.06   0.00   0.06     0.10  -0.04   0.11     0.22  -0.21   0.26
    23   1    -0.10  -0.04  -0.12    -0.16  -0.02  -0.06     0.20   0.01   0.10
    24   1    -0.06   0.02   0.05    -0.08   0.01  -0.05     0.12  -0.03   0.04
    25   1     0.00  -0.01  -0.00     0.01   0.03  -0.00    -0.07  -0.08   0.02
    26   1     0.01   0.01  -0.02     0.00  -0.00   0.00     0.00   0.09  -0.02
    27   1     0.01   0.04  -0.02     0.01   0.02  -0.00    -0.06  -0.10   0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --    970.5649              1001.6269              1004.0735
 Red. masses --      1.5809                 1.2805                 1.7274
 Frc consts  --      0.8774                 0.7569                 1.0260
 IR Inten    --      2.1897                10.8812                 0.6330
 RamAct Fr= 1--     16.1389                24.8037                 6.0598
  Dep-P Fr= 1--      0.2842                 0.2942                 0.5113
  Dep-U Fr= 1--      0.4426                 0.4546                 0.6767
 Alpha2 Fr= 1--      0.1734                 0.2588                 0.0284
 Beta2  Fr= 1--      1.1906                 1.8794                 0.6834
 AlphaG Fr= 1--      0.0678                 0.4284                -0.0269
 Gamma2 Fr= 1--     -0.5830                 5.5470                -0.2215
 Delta2 Fr= 1--     -1.0056                 0.5323                 0.1470
 Raman1 Fr= 1--      64.556                 99.215                 24.239
 ROA1   Fr= 1--     -88.151                549.545                -16.555
 CID1   Fr= 1--      -1.365                  5.539                 -0.683
 Raman2 Fr= 1--      14.287                 22.553                  8.201
 ROA2   Fr= 1--      -5.948                128.870                 -6.491
 CID2   Fr= 1--      -0.416                  5.714                 -0.792
 Raman3 Fr= 1--      28.575                 45.105                 16.402
 ROA3   Fr= 1--     -88.151                549.545                -16.555
 CID3   Fr= 1--      -3.085                 12.184                 -1.009
 RC180  Fr= 1--      -0.115                 -0.091                  0.353
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.08   0.04     0.07   0.03  -0.02     0.04  -0.05   0.04
     2   6     0.01  -0.03  -0.02     0.00  -0.01  -0.01     0.04  -0.12  -0.02
     3   6    -0.03   0.07  -0.01    -0.02   0.03   0.00     0.02   0.01   0.09
     4   6    -0.02  -0.01   0.00     0.01   0.01  -0.01    -0.02  -0.02  -0.02
     5   6    -0.01  -0.02  -0.00    -0.03  -0.04   0.00    -0.02   0.02   0.03
     6   6     0.02   0.03  -0.01     0.01   0.03  -0.00    -0.00  -0.01   0.00
     7   8    -0.01   0.01  -0.01    -0.02   0.02  -0.01     0.01  -0.00   0.00
     8   6    -0.00   0.04   0.02    -0.07  -0.04   0.02    -0.07   0.01  -0.12
     9   6     0.09  -0.01  -0.10     0.00   0.00  -0.00     0.07   0.02   0.04
    10   6    -0.07   0.02   0.08     0.01  -0.01   0.01    -0.05   0.04  -0.03
    11   6     0.03  -0.03   0.02     0.05  -0.03   0.02     0.00   0.00  -0.01
    12   1    -0.01  -0.35   0.04    -0.07   0.22   0.05     0.13   0.23  -0.04
    13   1     0.31   0.17   0.05     0.04  -0.11  -0.02    -0.06  -0.05  -0.04
    14   1    -0.05  -0.04  -0.02     0.01  -0.27  -0.05     0.00   0.23   0.13
    15   1    -0.13  -0.15   0.04    -0.18  -0.12   0.09    -0.03   0.18   0.02
    16   1    -0.28   0.08   0.02     0.17   0.10  -0.11    -0.04  -0.05   0.07
    17   1    -0.16   0.04  -0.32     0.01   0.09   0.34    -0.08   0.03  -0.12
    18   1     0.16   0.23   0.39    -0.12  -0.05   0.09     0.09   0.13   0.29
    19   1    -0.04   0.16  -0.11    -0.17  -0.15  -0.28    -0.05   0.05  -0.11
    20   1     0.10  -0.19   0.05     0.11   0.11  -0.08    -0.29   0.51  -0.19
    21   1    -0.07   0.07  -0.15     0.26  -0.25   0.11     0.09  -0.06   0.21
    22   1    -0.10   0.04  -0.12    -0.08   0.29  -0.14     0.13   0.02   0.16
    23   1     0.08  -0.02   0.04     0.10   0.03   0.12    -0.08  -0.04  -0.14
    24   1     0.05  -0.01   0.04    -0.00  -0.02   0.07     0.02  -0.07  -0.29
    25   1    -0.09  -0.10   0.02    -0.13  -0.12   0.03     0.00   0.03  -0.00
    26   1     0.01   0.14  -0.04     0.02   0.24  -0.06     0.00   0.01   0.01
    27   1    -0.08  -0.10  -0.01    -0.12  -0.15  -0.01    -0.01  -0.02   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1018.2532              1024.5104              1050.6240
 Red. masses --      1.4460                 1.2882                 1.8829
 Frc consts  --      0.8834                 0.7966                 1.2245
 IR Inten    --     18.6180                20.8321                 1.0431
 RamAct Fr= 1--      7.3658                 5.1842                 0.9933
  Dep-P Fr= 1--      0.5923                 0.2553                 0.6070
  Dep-U Fr= 1--      0.7439                 0.4068                 0.7555
 Alpha2 Fr= 1--      0.0216                 0.0605                 0.0026
 Beta2  Fr= 1--      0.9133                 0.3515                 0.1251
 AlphaG Fr= 1--     -0.3108                 0.6029                 0.0098
 Gamma2 Fr= 1--     -0.9444                 3.1459                 0.2507
 Delta2 Fr= 1--      1.1507                -0.1470                -0.1236
 Raman1 Fr= 1--      29.463                 20.737                  3.973
 ROA1   Fr= 1--     -53.843                297.299                 20.111
 CID1   Fr= 1--      -1.827                 14.337                  5.062
 Raman2 Fr= 1--      10.960                  4.218                  1.501
 ROA2   Fr= 1--     -31.871                 76.676                  7.005
 CID2   Fr= 1--      -2.908                 18.180                  4.667
 Raman3 Fr= 1--      21.919                  8.435                  3.002
 ROA3   Fr= 1--     -53.843                297.299                 20.111
 CID3   Fr= 1--      -2.456                 35.246                  6.700
 RC180  Fr= 1--       0.488                 -0.186                  0.511
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.01  -0.01    -0.04  -0.02   0.01     0.00   0.00  -0.00
     2   6    -0.00   0.02   0.02     0.01  -0.02   0.02    -0.00   0.00  -0.00
     3   6     0.07  -0.02  -0.02     0.05  -0.03   0.00     0.00   0.01   0.00
     4   6    -0.02   0.02   0.04     0.02  -0.00  -0.05    -0.01   0.01   0.04
     5   6    -0.09  -0.04   0.03    -0.03  -0.05  -0.05     0.01  -0.02  -0.07
     6   6     0.01   0.02  -0.02    -0.00   0.02   0.02    -0.05   0.06   0.20
     7   8    -0.03   0.04  -0.01    -0.01   0.02  -0.02     0.01  -0.01  -0.04
     8   6     0.03   0.02   0.00     0.01   0.02  -0.04    -0.00  -0.00   0.01
     9   6    -0.03  -0.01   0.03    -0.01   0.00   0.04    -0.00  -0.00  -0.00
    10   6     0.01  -0.01  -0.01     0.00   0.03  -0.02    -0.00  -0.01   0.00
    11   6     0.10  -0.02   0.04     0.06  -0.02   0.01     0.03  -0.04  -0.15
    12   1     0.00   0.02  -0.01     0.05   0.08  -0.03    -0.00  -0.02   0.00
    13   1    -0.08  -0.04  -0.00    -0.07  -0.10  -0.02    -0.00   0.03   0.01
    14   1     0.12   0.08  -0.02    -0.02   0.03   0.03     0.04   0.03  -0.01
    15   1     0.03   0.02  -0.01     0.00   0.05  -0.01     0.01   0.00  -0.00
    16   1    -0.01  -0.06   0.03    -0.03  -0.02   0.03     0.00  -0.01   0.01
    17   1     0.03  -0.05  -0.08    -0.01  -0.05  -0.16     0.00   0.01   0.02
    18   1     0.01  -0.03  -0.13     0.05   0.02  -0.05    -0.01  -0.00   0.00
    19   1     0.07   0.02   0.13     0.08   0.07   0.13    -0.01  -0.01  -0.01
    20   1    -0.01  -0.09   0.05    -0.11   0.07  -0.01     0.02  -0.02   0.01
    21   1    -0.10   0.10  -0.06    -0.09   0.10  -0.00     0.01  -0.01  -0.01
    22   1     0.00  -0.08   0.02     0.06  -0.11   0.09    -0.01   0.01  -0.01
    23   1     0.12  -0.12  -0.43    -0.12   0.16   0.53     0.05  -0.07  -0.25
    24   1    -0.02  -0.17  -0.44    -0.21   0.13   0.55    -0.01   0.01   0.02
    25   1    -0.22  -0.23   0.05    -0.13  -0.07   0.03     0.06   0.61  -0.00
    26   1     0.06   0.44  -0.13     0.02   0.27  -0.04    -0.07   0.08   0.31
    27   1    -0.20  -0.21  -0.05    -0.13  -0.17   0.00    -0.12  -0.52   0.28
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1089.1275              1158.8325              1174.2278
 Red. masses --      1.3470                 2.1981                 1.6773
 Frc consts  --      0.9414                 1.7392                 1.3626
 IR Inten    --      9.7608                 2.3320                10.9681
 RamAct Fr= 1--      9.3066                12.6507                71.9416
  Dep-P Fr= 1--      0.3324                 0.1672                 0.3529
  Dep-U Fr= 1--      0.4989                 0.2865                 0.5217
 Alpha2 Fr= 1--      0.0864                 0.1871                 0.6256
 Beta2  Fr= 1--      0.7739                 0.6042                 6.2554
 AlphaG Fr= 1--     -0.1480                 0.0946                 0.9765
 Gamma2 Fr= 1--     -0.1264                -1.7990                 8.6014
 Delta2 Fr= 1--      1.0306                -0.4620                 0.2058
 Raman1 Fr= 1--      37.226                 50.603                287.766
 ROA1   Fr= 1--      20.840               -187.486                832.318
 CID1   Fr= 1--       0.560                 -3.705                  2.892
 Raman2 Fr= 1--       9.287                  7.250                 75.065
 ROA2   Fr= 1--     -11.279                -39.479                204.786
 CID2   Fr= 1--      -1.215                 -5.445                  2.728
 Raman3 Fr= 1--      18.573                 14.500                150.129
 ROA3   Fr= 1--      20.840               -187.486                832.318
 CID3   Fr= 1--       1.122                -12.930                  5.544
 RC180  Fr= 1--      -0.002                 -0.427                  0.043
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.03  -0.02    -0.04  -0.01   0.00    -0.06  -0.01   0.05
     2   6     0.00   0.01  -0.02     0.06  -0.01   0.02     0.06   0.03  -0.12
     3   6     0.09   0.01   0.06     0.11   0.18  -0.10    -0.05   0.04   0.07
     4   6    -0.02  -0.05  -0.05    -0.11  -0.11  -0.02     0.01  -0.02  -0.03
     5   6    -0.03   0.02  -0.00    -0.03   0.05  -0.02    -0.01   0.01   0.01
     6   6    -0.01  -0.02   0.00     0.02   0.01   0.00     0.00   0.00   0.00
     7   8     0.01   0.00   0.00     0.02  -0.02   0.01    -0.00   0.00  -0.00
     8   6    -0.03  -0.01   0.05    -0.01   0.01  -0.01    -0.02  -0.00   0.06
     9   6    -0.04  -0.02  -0.03    -0.03  -0.04   0.01     0.06  -0.05   0.07
    10   6    -0.01  -0.02  -0.02     0.03  -0.07   0.10    -0.09  -0.01  -0.06
    11   6     0.02   0.01   0.00    -0.02  -0.00  -0.01    -0.00  -0.00  -0.00
    12   1     0.02  -0.38  -0.05    -0.16   0.36   0.09     0.17   0.10  -0.07
    13   1    -0.09   0.35   0.08    -0.03  -0.12  -0.01    -0.22   0.18   0.02
    14   1     0.23   0.47   0.09     0.37   0.31  -0.15     0.44  -0.39  -0.14
    15   1     0.19   0.13  -0.08    -0.30  -0.42   0.18     0.02   0.25  -0.02
    16   1    -0.14  -0.16   0.13     0.14   0.13  -0.12     0.36  -0.02  -0.08
    17   1     0.02   0.05   0.20     0.02  -0.06  -0.12     0.03  -0.07  -0.18
    18   1    -0.07  -0.04   0.01     0.04   0.00  -0.09     0.13   0.06  -0.05
    19   1    -0.07  -0.08  -0.12     0.06   0.05   0.11     0.13   0.14   0.23
    20   1     0.13  -0.07  -0.00    -0.01   0.05  -0.03     0.17  -0.12   0.02
    21   1     0.12  -0.12  -0.00     0.00   0.00   0.01     0.08  -0.08  -0.07
    22   1    -0.09   0.18  -0.12     0.00   0.03  -0.00    -0.08   0.11  -0.09
    23   1    -0.27   0.02   0.10    -0.15  -0.08   0.06    -0.04   0.01   0.04
    24   1    -0.12   0.04   0.01     0.08   0.05   0.02    -0.05  -0.00  -0.07
    25   1    -0.03  -0.01   0.01     0.04   0.03  -0.01     0.00   0.01  -0.00
    26   1     0.01   0.07  -0.02    -0.01  -0.11   0.03    -0.00  -0.01   0.01
    27   1    -0.02  -0.01  -0.01     0.04   0.04   0.01     0.00  -0.00   0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1186.6688              1225.7950              1245.4584
 Red. masses --      1.7957                 1.5060                 1.6503
 Frc consts  --      1.4898                 1.3333                 1.5083
 IR Inten    --      7.5401                 2.8311                13.5977
 RamAct Fr= 1--      1.7230                14.9317                16.2345
  Dep-P Fr= 1--      0.7476                 0.4878                 0.3097
  Dep-U Fr= 1--      0.8556                 0.6558                 0.4729
 Alpha2 Fr= 1--      0.0001                 0.0780                 0.1617
 Beta2  Fr= 1--      0.2457                 1.6319                 1.2796
 AlphaG Fr= 1--     -0.0070                 0.1272                 0.2143
 Gamma2 Fr= 1--      0.2611                -1.6159                 0.9650
 Delta2 Fr= 1--      0.1326                -0.3314                -2.6988
 Raman1 Fr= 1--       6.892                 59.727                 64.938
 ROA1   Fr= 1--      29.308               -165.737                  6.276
 CID1   Fr= 1--       4.252                 -2.775                  0.097
 Raman2 Fr= 1--       2.948                 19.583                 15.355
 ROA2   Fr= 1--       5.205                -36.131                 44.751
 CID2   Fr= 1--       1.765                 -1.845                  2.914
 Raman3 Fr= 1--       5.896                 39.166                 30.710
 ROA3   Fr= 1--      29.308               -165.737                  6.276
 CID3   Fr= 1--       4.970                 -4.232                  0.204
 RC180  Fr= 1--       0.711                  0.312                 -0.054
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.01  -0.01     0.03   0.04  -0.02     0.02  -0.07   0.00
     2   6     0.19  -0.01   0.01    -0.10  -0.09   0.04    -0.03   0.17   0.02
     3   6     0.01  -0.07  -0.05     0.03  -0.02  -0.04     0.01  -0.02  -0.05
     4   6     0.00   0.04   0.05     0.00   0.00   0.01     0.01  -0.00   0.01
     5   6     0.01  -0.02  -0.01     0.01  -0.00  -0.00     0.02   0.01  -0.00
     6   6     0.01   0.00  -0.01    -0.00  -0.00  -0.00    -0.02  -0.02  -0.00
     7   8    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
     8   6    -0.09  -0.00   0.01     0.05   0.04  -0.01     0.00  -0.06  -0.02
     9   6    -0.01  -0.06  -0.03     0.09  -0.05   0.02    -0.01   0.06   0.05
    10   6    -0.04   0.04   0.05    -0.06   0.03  -0.01    -0.06  -0.06   0.01
    11   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.01   0.00   0.00
    12   1    -0.03  -0.06  -0.01     0.15   0.02  -0.04     0.20  -0.47  -0.10
    13   1    -0.04   0.25   0.07    -0.22   0.56   0.10    -0.03  -0.23  -0.06
    14   1    -0.57   0.24   0.16    -0.13   0.11   0.02    -0.04   0.24   0.01
    15   1     0.05  -0.03  -0.05    -0.35  -0.04   0.15    -0.11  -0.05   0.06
    16   1     0.16   0.21  -0.14     0.40   0.17  -0.18     0.52   0.11  -0.20
    17   1     0.08  -0.10  -0.13     0.03   0.04   0.20    -0.15   0.05  -0.15
    18   1     0.06  -0.02  -0.21    -0.11  -0.06   0.00     0.07   0.08   0.17
    19   1     0.11   0.05   0.21    -0.04  -0.11  -0.05    -0.05   0.11  -0.15
    20   1     0.09   0.14  -0.10    -0.09  -0.08   0.07    -0.03   0.07  -0.03
    21   1     0.14  -0.15   0.03    -0.15   0.16  -0.07     0.10  -0.10   0.16
    22   1    -0.08   0.31  -0.13    -0.01  -0.14   0.00     0.11  -0.03   0.11
    23   1     0.06  -0.01  -0.07    -0.02   0.00  -0.00    -0.04   0.00  -0.01
    24   1     0.03  -0.01   0.05    -0.04   0.00   0.00    -0.09   0.02  -0.02
    25   1     0.00  -0.01  -0.00    -0.01  -0.01   0.00    -0.02   0.00   0.01
    26   1     0.00  -0.01  -0.00     0.00   0.01  -0.00     0.01   0.06  -0.02
    27   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01   0.00  -0.02
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1262.9106              1281.6533              1283.9519
 Red. masses --      1.7251                 2.0167                 1.9619
 Frc consts  --      1.6211                 1.9518                 1.9056
 IR Inten    --     51.4163                47.6954                58.3292
 RamAct Fr= 1--     16.5901                12.4787                15.4982
  Dep-P Fr= 1--      0.3064                 0.4604                 0.2270
  Dep-U Fr= 1--      0.4691                 0.6305                 0.3700
 Alpha2 Fr= 1--      0.1669                 0.0733                 0.1957
 Beta2  Fr= 1--      1.2969                 1.3113                 0.9558
 AlphaG Fr= 1--      0.0389                -0.0135                 0.0818
 Gamma2 Fr= 1--      4.4680                -0.1288                 1.6401
 Delta2 Fr= 1--      2.6427                -0.2942                 0.3411
 Raman1 Fr= 1--      66.360                 49.915                 61.993
 ROA1   Fr= 1--     513.493                -21.780                168.367
 CID1   Fr= 1--       7.738                 -0.436                  2.716
 Raman2 Fr= 1--      15.563                 15.735                 11.470
 ROA2   Fr= 1--      86.091                 -0.738                 36.634
 CID2   Fr= 1--       5.532                 -0.047                  3.194
 Raman3 Fr= 1--      31.127                 31.470                 22.939
 ROA3   Fr= 1--     513.493                -21.780                168.367
 CID3   Fr= 1--      16.497                 -0.692                  7.340
 RC180  Fr= 1--      -0.062                  0.261                 -0.260
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.02    -0.01   0.05   0.03     0.01   0.04   0.00
     2   6    -0.03   0.03   0.06     0.01  -0.14  -0.12    -0.03  -0.10  -0.02
     3   6    -0.02  -0.01  -0.01    -0.01  -0.00   0.01     0.03  -0.03   0.01
     4   6     0.02   0.01  -0.01    -0.02   0.01  -0.02    -0.01   0.02  -0.02
     5   6     0.04   0.04  -0.00     0.03   0.04  -0.00    -0.08  -0.05  -0.00
     6   6    -0.12  -0.12   0.01    -0.12  -0.12   0.01     0.12   0.13  -0.01
     7   8     0.01   0.02  -0.00     0.03   0.01   0.00    -0.01  -0.02   0.00
     8   6     0.01  -0.01  -0.02    -0.00   0.05   0.04     0.01   0.03   0.01
     9   6     0.03  -0.05  -0.08    -0.01   0.11   0.05     0.01   0.09  -0.02
    10   6    -0.07  -0.03   0.09    -0.00  -0.01   0.00    -0.10  -0.05   0.08
    11   6     0.05   0.01   0.01     0.04   0.01   0.01    -0.05  -0.01  -0.01
    12   1    -0.23   0.39   0.13     0.16  -0.20  -0.09    -0.00  -0.06   0.01
    13   1     0.12   0.13   0.02     0.10  -0.42  -0.09     0.21  -0.31  -0.08
    14   1     0.19   0.01  -0.06    -0.08   0.23   0.06     0.13   0.19   0.01
    15   1     0.57   0.13  -0.27    -0.15  -0.03   0.09     0.50   0.17  -0.23
    16   1     0.15   0.17  -0.12     0.10   0.06  -0.07     0.34   0.20  -0.20
    17   1    -0.04   0.02  -0.01     0.12  -0.04   0.10     0.06  -0.00   0.10
    18   1    -0.02  -0.00   0.03    -0.02  -0.03  -0.07    -0.06  -0.04  -0.04
    19   1    -0.02   0.00  -0.06     0.05  -0.07   0.14    -0.00  -0.08   0.03
    20   1    -0.06   0.04  -0.01     0.09  -0.14   0.05    -0.01  -0.06   0.04
    21   1    -0.04   0.03   0.05    -0.01   0.02  -0.16    -0.05   0.06  -0.08
    22   1     0.05  -0.03   0.05    -0.13  -0.02  -0.12    -0.05  -0.05  -0.04
    23   1    -0.06   0.02   0.00     0.07   0.01   0.02     0.12   0.02   0.06
    24   1     0.20   0.03   0.05     0.51   0.00   0.10    -0.09  -0.05   0.00
    25   1    -0.06   0.07   0.03    -0.04   0.11   0.03     0.06  -0.10  -0.04
    26   1     0.02   0.25  -0.07     0.01   0.26  -0.07    -0.02  -0.26   0.07
    27   1    -0.03   0.04  -0.09    -0.01   0.07  -0.10     0.03  -0.06   0.11
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1290.2044              1315.3458              1341.1503
 Red. masses --      1.5099                 1.9302                 1.3610
 Frc consts  --      1.4809                 1.9676                 1.4423
 IR Inten    --      3.2233                 6.8101                 0.3055
 RamAct Fr= 1--     22.3407                20.5084                14.2061
  Dep-P Fr= 1--      0.1941                 0.2277                 0.2546
  Dep-U Fr= 1--      0.3250                 0.3709                 0.4058
 Alpha2 Fr= 1--      0.3082                 0.2585                 0.1662
 Beta2  Fr= 1--      1.2103                 1.2677                 0.9609
 AlphaG Fr= 1--      0.0552                 0.1962                -0.0734
 Gamma2 Fr= 1--     -0.4328                 6.8475                -1.3547
 Delta2 Fr= 1--      0.0012                 3.6161                -1.9569
 Raman1 Fr= 1--      89.363                 82.034                 56.824
 ROA1   Fr= 1--     -41.509                773.072               -192.676
 CID1   Fr= 1--      -0.464                  9.424                 -3.391
 Raman2 Fr= 1--      14.524                 15.212                 11.531
 ROA2   Fr= 1--     -10.396                135.410                -16.859
 CID2   Fr= 1--      -0.716                  8.901                 -1.462
 Raman3 Fr= 1--      29.047                 30.424                 23.062
 ROA3   Fr= 1--     -41.509                773.072               -192.676
 CID3   Fr= 1--      -1.429                 25.410                 -8.355
 RC180  Fr= 1--      -0.350                 -0.258                 -0.188
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02  -0.01    -0.02   0.04  -0.03     0.01  -0.01   0.01
     2   6    -0.00   0.05   0.06     0.10  -0.10   0.19    -0.03   0.02  -0.04
     3   6     0.09  -0.01   0.02    -0.03   0.07  -0.01     0.03  -0.05   0.01
     4   6    -0.09   0.06  -0.03    -0.00  -0.06   0.01    -0.03  -0.08   0.02
     5   6    -0.10  -0.02  -0.02     0.02   0.06  -0.01    -0.03   0.12  -0.04
     6   6     0.02   0.02  -0.00    -0.03  -0.03   0.00    -0.00  -0.01   0.00
     7   8     0.03  -0.03   0.01     0.00   0.01  -0.00     0.01   0.00   0.00
     8   6    -0.00  -0.02  -0.02    -0.02   0.02  -0.05     0.00   0.00   0.01
     9   6    -0.00  -0.02   0.01    -0.03   0.07  -0.02     0.01  -0.02   0.00
    10   6    -0.03   0.00  -0.04    -0.02  -0.02  -0.02     0.00   0.01  -0.00
    11   6    -0.02  -0.01  -0.00     0.01  -0.00   0.00    -0.01  -0.02   0.00
    12   1     0.03  -0.13  -0.02     0.12  -0.54  -0.09    -0.03   0.12   0.02
    13   1    -0.09   0.15   0.03     0.09   0.06   0.03    -0.03   0.01  -0.00
    14   1     0.03  -0.21   0.01     0.26  -0.45  -0.16    -0.09   0.09   0.07
    15   1     0.00   0.09  -0.02     0.02   0.08  -0.01     0.03   0.02  -0.02
    16   1     0.01  -0.09   0.05     0.07  -0.03  -0.02    -0.03  -0.00   0.02
    17   1    -0.04   0.02  -0.03     0.09  -0.05  -0.06    -0.02   0.02   0.02
    18   1    -0.00  -0.00   0.01    -0.09  -0.12  -0.22     0.01   0.02   0.06
    19   1    -0.03   0.01  -0.06    -0.06  -0.16  -0.03     0.02   0.02   0.01
    20   1    -0.03   0.05  -0.02    -0.11   0.15  -0.05     0.03  -0.05   0.01
    21   1     0.01  -0.01   0.07    -0.08   0.08   0.05     0.04  -0.03  -0.01
    22   1     0.05   0.01   0.05     0.03   0.08   0.01    -0.01  -0.04   0.01
    23   1     0.32   0.02   0.07     0.19  -0.08   0.07     0.83  -0.18   0.25
    24   1     0.81  -0.09   0.22    -0.21   0.08  -0.08    -0.28   0.15  -0.10
    25   1     0.05   0.02  -0.01    -0.01   0.04   0.01     0.03   0.06   0.01
    26   1    -0.02  -0.03   0.00     0.00   0.07  -0.02    -0.02   0.09  -0.03
    27   1     0.04   0.03   0.02     0.00   0.03  -0.03     0.04   0.05  -0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1379.0891              1388.7005              1406.1377
 Red. masses --      1.6398                 1.3624                 1.2864
 Frc consts  --      1.8375                 1.5480                 1.4986
 IR Inten    --      0.0813                45.4100                 9.4094
 RamAct Fr= 1--     29.5607                 1.4124                 1.4871
  Dep-P Fr= 1--      0.3407                 0.6577                 0.4002
  Dep-U Fr= 1--      0.5082                 0.7935                 0.5717
 Alpha2 Fr= 1--      0.2674                 0.0023                 0.0110
 Beta2  Fr= 1--      2.5040                 0.1868                 0.1417
 AlphaG Fr= 1--      0.2418                 0.0027                 0.0010
 Gamma2 Fr= 1--      3.6666                 0.7154                 0.1002
 Delta2 Fr= 1--     -0.2694                -0.0169                 0.1666
 Raman1 Fr= 1--     118.243                  5.650                  5.949
 ROA1   Fr= 1--     343.371                 68.132                 14.952
 CID1   Fr= 1--       2.904                 12.060                  2.514
 Raman2 Fr= 1--      30.048                  2.241                  1.700
 ROA2   Fr= 1--      90.153                 17.304                  1.073
 CID2   Fr= 1--       3.000                  7.720                  0.631
 Raman3 Fr= 1--      60.097                  4.483                  3.401
 ROA3   Fr= 1--     343.371                 68.132                 14.952
 CID3   Fr= 1--       5.714                 15.198                  4.397
 RC180  Fr= 1--       0.016                  0.587                  0.143
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.00    -0.00  -0.00   0.00     0.03   0.02   0.08
     2   6     0.03   0.01   0.04    -0.00   0.00   0.00    -0.02   0.01  -0.04
     3   6    -0.16  -0.13   0.01    -0.01  -0.00  -0.00     0.02   0.00   0.00
     4   6     0.04   0.05  -0.04     0.01   0.01  -0.00    -0.00  -0.01   0.00
     5   6    -0.02  -0.01   0.00    -0.01  -0.03   0.01     0.00   0.00  -0.00
     6   6     0.01   0.01   0.00     0.05   0.05  -0.00    -0.00  -0.00   0.00
     7   8    -0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.00   0.00   0.00
     8   6    -0.00  -0.01  -0.01     0.00  -0.00   0.00     0.06  -0.09   0.05
     9   6     0.00  -0.01  -0.01     0.00  -0.00  -0.00     0.00  -0.00   0.01
    10   6     0.05   0.04   0.02     0.00   0.00   0.00    -0.00   0.00  -0.00
    11   6    -0.01   0.00  -0.00    -0.04  -0.15   0.03     0.00   0.00  -0.00
    12   1     0.04   0.01  -0.05    -0.00   0.00   0.00    -0.00   0.04   0.01
    13   1     0.08   0.10   0.06     0.01   0.00   0.00    -0.02  -0.03  -0.01
    14   1     0.66   0.50  -0.13     0.04   0.03  -0.01    -0.08  -0.00   0.03
    15   1    -0.23  -0.11   0.14    -0.00  -0.01   0.00     0.02  -0.02  -0.02
    16   1    -0.06   0.11  -0.05     0.00   0.01  -0.00     0.02  -0.03   0.03
    17   1     0.03  -0.03  -0.07     0.00  -0.00  -0.00    -0.04   0.03  -0.34
    18   1     0.02  -0.02  -0.07     0.01   0.00  -0.00    -0.02  -0.21  -0.27
    19   1    -0.04  -0.02  -0.03    -0.01  -0.00  -0.01    -0.23  -0.04  -0.26
    20   1    -0.02   0.06  -0.02    -0.01   0.01  -0.00    -0.18   0.39  -0.01
    21   1    -0.06   0.03   0.02    -0.01   0.01   0.00    -0.37   0.20  -0.19
    22   1     0.02   0.08  -0.01     0.00   0.01  -0.01    -0.10   0.31  -0.33
    23   1     0.22   0.05   0.08    -0.10   0.03  -0.03     0.01  -0.01   0.01
    24   1     0.13  -0.03   0.02    -0.06  -0.03  -0.01    -0.01   0.01  -0.00
    25   1     0.02  -0.05  -0.02     0.15   0.56   0.13    -0.00  -0.01  -0.00
    26   1    -0.00  -0.03   0.01    -0.09   0.45  -0.15     0.00  -0.00   0.00
    27   1     0.00  -0.03   0.05     0.26   0.44  -0.31    -0.00  -0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1423.3403              1471.3785              1480.0974
 Red. masses --      1.2290                 1.0563                 1.0474
 Frc consts  --      1.4669                 1.3473                 1.3518
 IR Inten    --      3.2445                10.1373                10.5731
 RamAct Fr= 1--      1.1131                 4.3867                 5.0551
  Dep-P Fr= 1--      0.6792                 0.7448                 0.7493
  Dep-U Fr= 1--      0.8090                 0.8537                 0.8567
 Alpha2 Fr= 1--      0.0014                 0.0004                 0.0001
 Beta2  Fr= 1--      0.1501                 0.6242                 0.7218
 AlphaG Fr= 1--     -0.0068                -0.0025                -0.0023
 Gamma2 Fr= 1--      0.3546                 0.2830                -0.9516
 Delta2 Fr= 1--     -0.0949                 0.0378                -0.1013
 Raman1 Fr= 1--       4.453                 17.547                 20.221
 ROA1   Fr= 1--      31.001                 28.377                -94.597
 CID1   Fr= 1--       6.962                  1.617                 -4.678
 Raman2 Fr= 1--       1.801                  7.490                  8.661
 ROA2   Fr= 1--       9.269                  6.490                -22.028
 CID2   Fr= 1--       5.146                  0.866                 -2.543
 Raman3 Fr= 1--       3.602                 14.980                 17.323
 ROA3   Fr= 1--      31.001                 28.377                -94.597
 CID3   Fr= 1--       8.606                  1.894                 -5.461
 RC180  Fr= 1--       0.618                  0.707                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03  -0.10     0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.00   0.01   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6    -0.00   0.01   0.00     0.00   0.01  -0.00     0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6    -0.00   0.00  -0.00     0.01  -0.00   0.00    -0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.02   0.01     0.00  -0.00  -0.02
     7   8     0.00  -0.00   0.00    -0.02   0.02  -0.01    -0.00   0.00   0.00
     8   6     0.04  -0.07   0.03     0.00  -0.00   0.00     0.00  -0.00  -0.00
     9   6    -0.01   0.01   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    10   6     0.00  -0.01  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    11   6     0.00   0.00   0.00    -0.05  -0.00  -0.01     0.01  -0.02  -0.05
    12   1     0.05  -0.02  -0.05    -0.00  -0.00   0.00    -0.02  -0.01   0.02
    13   1     0.06  -0.02   0.02    -0.00  -0.00  -0.00    -0.02  -0.00  -0.01
    14   1     0.03  -0.02  -0.01    -0.01  -0.01  -0.00    -0.01  -0.00   0.00
    15   1    -0.01   0.03   0.02     0.00  -0.00  -0.00    -0.00   0.02   0.01
    16   1    -0.02   0.02  -0.02     0.00  -0.00   0.00    -0.01   0.01  -0.01
    17   1    -0.01  -0.00   0.45    -0.00   0.00  -0.00     0.03  -0.03  -0.00
    18   1     0.03   0.26   0.35    -0.01  -0.00   0.01     0.02   0.02   0.01
    19   1     0.31   0.12   0.32     0.01  -0.01   0.01    -0.01  -0.02  -0.01
    20   1    -0.14   0.30  -0.02     0.00   0.01  -0.00    -0.02  -0.02   0.01
    21   1    -0.30   0.17  -0.09    -0.00  -0.00  -0.01    -0.01   0.01   0.03
    22   1    -0.04   0.27  -0.22    -0.00  -0.00  -0.00     0.00   0.02  -0.01
    23   1     0.01  -0.01   0.00    -0.04   0.00  -0.01     0.00  -0.00  -0.01
    24   1    -0.00   0.00  -0.01    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    25   1    -0.01   0.00   0.00     0.53  -0.30  -0.18    -0.44  -0.20   0.01
    26   1     0.00  -0.01  -0.00    -0.08   0.41  -0.14    -0.17   0.20   0.68
    27   1    -0.01  -0.00  -0.01     0.36  -0.11   0.51     0.41   0.23   0.10
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1483.0382              1484.2953              1493.7846
 Red. masses --      1.0679                 1.0485                 1.0639
 Frc consts  --      1.3839                 1.3610                 1.3987
 IR Inten    --      0.6536                 0.1051                 5.6850
 RamAct Fr= 1--      4.7372                10.0197                 4.7989
  Dep-P Fr= 1--      0.7391                 0.7429                 0.7217
  Dep-U Fr= 1--      0.8500                 0.8525                 0.8383
 Alpha2 Fr= 1--      0.0009                 0.0012                 0.0023
 Beta2  Fr= 1--      0.6711                 1.4236                 0.6705
 AlphaG Fr= 1--     -0.0010                -0.0006                 0.0148
 Gamma2 Fr= 1--      2.4293                -1.7392                -0.8691
 Delta2 Fr= 1--      0.5669                -0.6559                 0.4984
 Raman1 Fr= 1--      18.949                 40.079                 19.196
 ROA1   Fr= 1--     251.351               -187.949                -67.479
 CID1   Fr= 1--      13.265                 -4.689                 -3.515
 Raman2 Fr= 1--       8.053                 17.083                  8.046
 ROA2   Fr= 1--      53.768                -36.493                -24.845
 CID2   Fr= 1--       6.676                 -2.136                 -3.088
 Raman3 Fr= 1--      16.107                 34.165                 16.092
 ROA3   Fr= 1--     251.351               -187.949                -67.479
 CID3   Fr= 1--      15.605                 -5.501                 -4.193
 RC180  Fr= 1--       0.700                  0.705                  0.677
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03   0.01    -0.03  -0.00   0.01    -0.01   0.02   0.00
     2   6     0.00  -0.01   0.01     0.00   0.00  -0.01    -0.02  -0.00  -0.02
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01   0.00   0.00
     4   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     8   6     0.01   0.02   0.01     0.03   0.01  -0.03    -0.01  -0.02  -0.03
     9   6    -0.05  -0.01   0.01     0.02   0.00  -0.00    -0.03  -0.01   0.01
    10   6    -0.02   0.03  -0.00     0.01  -0.02   0.00    -0.02   0.03  -0.00
    11   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    12   1     0.26   0.13  -0.31    -0.10  -0.05   0.11     0.17   0.12  -0.20
    13   1     0.37   0.08   0.20    -0.13  -0.03  -0.07     0.23   0.03   0.12
    14   1     0.00  -0.02  -0.00    -0.01  -0.00   0.01    -0.04   0.01   0.01
    15   1     0.04  -0.25  -0.15    -0.01   0.13   0.07     0.04  -0.27  -0.16
    16   1     0.16  -0.17   0.17    -0.08   0.08  -0.08     0.17  -0.18   0.18
    17   1    -0.08   0.05   0.20     0.27  -0.20   0.13     0.21  -0.14  -0.10
    18   1     0.19   0.00  -0.21     0.36   0.21  -0.11     0.02   0.10   0.13
    19   1    -0.02   0.33  -0.14    -0.15   0.05  -0.18    -0.07  -0.26   0.01
    20   1    -0.21   0.05   0.07    -0.38  -0.26   0.21     0.17  -0.25  -0.01
    21   1     0.17  -0.11  -0.05     0.04   0.04   0.42    -0.23   0.18   0.30
    22   1    -0.18  -0.22  -0.16    -0.11   0.11  -0.24     0.24   0.36   0.16
    23   1    -0.00  -0.00  -0.00     0.00  -0.00   0.01     0.01  -0.00   0.00
    24   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    25   1    -0.02  -0.01  -0.00     0.04   0.01  -0.00     0.01   0.00  -0.00
    26   1    -0.01   0.01   0.03     0.01  -0.01  -0.05     0.00  -0.00  -0.01
    27   1     0.02   0.01   0.01    -0.03  -0.02   0.00    -0.01  -0.01   0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1502.0986              1505.5056              1508.3929
 Red. masses --      1.0934                 1.0554                 1.0870
 Frc consts  --      1.4535                 1.4095                 1.4571
 IR Inten    --      4.3388                 8.1984                 5.8650
 RamAct Fr= 1--      8.2322                 3.6336                 1.4589
  Dep-P Fr= 1--      0.5639                 0.7487                 0.6850
  Dep-U Fr= 1--      0.7212                 0.8563                 0.8131
 Alpha2 Fr= 1--      0.0290                 0.0001                 0.0017
 Beta2  Fr= 1--      0.9895                 0.5186                 0.1977
 AlphaG Fr= 1--      0.0204                -0.0027                 0.0036
 Gamma2 Fr= 1--      0.3990                 0.4530                 0.1580
 Delta2 Fr= 1--     -0.6574                -0.9887                 0.3187
 Raman1 Fr= 1--      32.929                 14.534                  5.836
 ROA1   Fr= 1--      17.262                 11.848                 25.367
 CID1   Fr= 1--       0.524                  0.815                  4.347
 Raman2 Fr= 1--      11.874                  6.223                  2.372
 ROA2   Fr= 1--      14.834                 18.781                  1.243
 CID2   Fr= 1--       1.249                  3.018                  0.524
 Raman3 Fr= 1--      23.748                 12.446                  4.745
 ROA3   Fr= 1--      17.262                 11.848                 25.367
 CID3   Fr= 1--       0.727                  0.952                  5.346
 RC180  Fr= 1--       0.442                  0.713                  0.626
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01   0.00    -0.00  -0.03   0.02     0.03   0.00   0.01
     2   6    -0.03   0.03   0.01    -0.02  -0.04  -0.00     0.01   0.01  -0.02
     3   6     0.02   0.01  -0.00     0.01   0.00  -0.00     0.01   0.01  -0.00
     4   6    -0.01  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6    -0.01  -0.01   0.02    -0.03  -0.01  -0.01     0.01   0.00  -0.02
     9   6    -0.04  -0.02   0.01     0.00   0.01   0.00    -0.04  -0.02   0.01
    10   6     0.01  -0.05  -0.00     0.01  -0.02   0.00     0.02  -0.05   0.00
    11   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   1     0.19   0.11  -0.22     0.00  -0.01   0.00     0.20   0.12  -0.23
    13   1     0.24   0.07   0.15     0.00  -0.01  -0.00     0.27   0.04   0.16
    14   1    -0.04  -0.03   0.01    -0.02  -0.00   0.01    -0.04  -0.02   0.01
    15   1    -0.03   0.31   0.17    -0.01   0.15   0.08    -0.04   0.32   0.18
    16   1    -0.17   0.19  -0.22    -0.08   0.10  -0.10    -0.20   0.20  -0.22
    17   1     0.34  -0.25  -0.04    -0.14   0.10   0.28    -0.27   0.20  -0.14
    18   1     0.22   0.21   0.07     0.24  -0.04  -0.33    -0.29  -0.22   0.02
    19   1    -0.17  -0.23  -0.12    -0.03   0.48  -0.19     0.11   0.01   0.12
    20   1     0.15   0.20  -0.11     0.35  -0.08  -0.12    -0.17  -0.22   0.12
    21   1     0.03  -0.07  -0.29    -0.22   0.14   0.00     0.01   0.04   0.31
    22   1     0.01  -0.16   0.10     0.25   0.22   0.27    -0.02   0.13  -0.10
    23   1    -0.01   0.00  -0.00     0.01  -0.01  -0.00    -0.01  -0.00  -0.01
    24   1    -0.01   0.00   0.00    -0.01   0.00  -0.00    -0.00   0.00   0.00
    25   1     0.01  -0.00  -0.00     0.00  -0.01  -0.00    -0.00  -0.00   0.00
    26   1     0.00  -0.00  -0.01    -0.00   0.01   0.01    -0.00   0.00   0.00
    27   1    -0.00  -0.01   0.00     0.01   0.00   0.01     0.00   0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1695.7788              1737.0293              3013.2685
 Red. masses --      5.9809                 9.8783                 1.0772
 Frc consts  --     10.1334                17.5609                 5.7625
 IR Inten    --     65.0249               276.7699                 8.4563
 RamAct Fr= 1--    386.2611               207.2895                71.3214
  Dep-P Fr= 1--      0.2798                 0.3439                 0.5100
  Dep-U Fr= 1--      0.4373                 0.5118                 0.6755
 Alpha2 Fr= 1--      4.2048                 1.8561                 0.3359
 Beta2  Fr= 1--     28.1493                17.6808                 8.0291
 AlphaG Fr= 1--      1.2681                 0.1089                -0.7025
 Gamma2 Fr= 1--     13.0873                -0.4912                -2.7282
 Delta2 Fr= 1--      1.3285                 0.9447               -11.9411
 Raman1 Fr= 1--    1545.045                829.158                285.285
 ROA1   Fr= 1--    1298.891                -16.923               -644.027
 CID1   Fr= 1--       0.841                 -0.020                 -2.257
 Raman2 Fr= 1--     337.792                212.170                 96.349
 ROA2   Fr= 1--     303.466                -19.346                 30.052
 CID2   Fr= 1--       0.898                 -0.091                  0.312
 Raman3 Fr= 1--     675.584                424.339                192.699
 ROA3   Fr= 1--    1298.891                -16.923               -644.027
 CID3   Fr= 1--       1.923                 -0.040                 -3.342
 RC180  Fr= 1--      -0.125                  0.024                  0.351
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6    -0.06   0.01  -0.03     0.01   0.00  -0.00    -0.02   0.01  -0.07
     4   6     0.42  -0.18   0.15    -0.00  -0.01   0.00    -0.00  -0.00  -0.00
     5   6    -0.39   0.18  -0.14    -0.06   0.04  -0.03     0.00   0.00  -0.00
     6   6    -0.00   0.02  -0.01     0.49  -0.45   0.24    -0.00   0.00  -0.00
     7   8     0.05  -0.03   0.02    -0.32   0.29  -0.16     0.00  -0.00   0.00
     8   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.01   0.01
     9   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   6     0.01  -0.00   0.01     0.00  -0.00   0.00     0.00   0.00   0.01
    11   6    -0.01   0.00  -0.00    -0.03   0.03  -0.02    -0.00   0.00  -0.00
    12   1     0.01   0.01  -0.01     0.01   0.00  -0.01    -0.01  -0.00  -0.01
    13   1     0.02   0.00   0.01     0.01   0.00   0.01    -0.01  -0.01   0.02
    14   1    -0.17  -0.03   0.01    -0.00   0.01   0.00     0.25  -0.13   0.89
    15   1    -0.02  -0.01   0.03    -0.01  -0.00   0.01    -0.04   0.02  -0.05
    16   1     0.00   0.03  -0.03     0.00   0.00  -0.00     0.00  -0.03  -0.03
    17   1     0.02  -0.01  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    18   1     0.02   0.01   0.00    -0.00  -0.00   0.01     0.00  -0.00   0.00
    19   1    -0.02  -0.01  -0.02    -0.00  -0.00   0.00    -0.01   0.00   0.01
    20   1     0.01  -0.00  -0.00    -0.00   0.00  -0.00    -0.06  -0.06  -0.17
    21   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.12   0.16  -0.02
    22   1     0.01  -0.01   0.01     0.00  -0.00   0.00    -0.14   0.04   0.10
    23   1    -0.52  -0.13  -0.09    -0.01  -0.01   0.00     0.00   0.04  -0.01
    24   1     0.43   0.16   0.05     0.30  -0.01   0.07    -0.00  -0.01   0.00
    25   1     0.04  -0.01  -0.01    -0.08   0.19   0.04     0.00  -0.00   0.01
    26   1    -0.01  -0.01   0.00     0.03  -0.28   0.09    -0.00  -0.00  -0.00
    27   1     0.03   0.01   0.03    -0.03   0.13  -0.16     0.00  -0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3017.7771              3028.7763              3040.7290
 Red. masses --      1.0394                 1.0360                 1.0371
 Frc consts  --      5.5772                 5.5995                 5.6499
 IR Inten    --     35.8869                23.7258                 3.7612
 RamAct Fr= 1--    156.7861               215.5502               145.6559
  Dep-P Fr= 1--      0.0279                 0.0182                 0.0074
  Dep-U Fr= 1--      0.0544                 0.0358                 0.0147
 Alpha2 Fr= 1--      3.2631                 4.5902                 3.1814
 Beta2  Fr= 1--      1.4209                 1.2847                 0.3562
 AlphaG Fr= 1--     -1.1062                -0.2654                 0.6663
 Gamma2 Fr= 1--     -3.8102                 2.4677                 0.1722
 Delta2 Fr= 1--     -2.3507                 0.2401                -1.6930
 Raman1 Fr= 1--     627.145                862.201                582.624
 ROA1   Fr= 1--    -440.999                244.583                -37.646
 CID1   Fr= 1--      -0.703                  0.284                 -0.065
 Raman2 Fr= 1--      17.051                 15.416                  4.274
 ROA2   Fr= 1--     -72.639                 57.303                 17.676
 CID2   Fr= 1--      -4.260                  3.717                  4.135
 Raman3 Fr= 1--      34.102                 30.832                  8.549
 ROA3   Fr= 1--    -440.999                244.583                -37.646
 CID3   Fr= 1--     -12.932                  7.933                 -4.404
 RC180  Fr= 1--      -0.891                 -0.928                 -0.971
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.01    -0.01  -0.02  -0.04    -0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     3   6     0.01  -0.00   0.02     0.00  -0.00   0.01     0.00  -0.00   0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     7   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   6     0.02  -0.04   0.01     0.00  -0.01   0.00    -0.00  -0.00   0.00
     9   6    -0.00  -0.00  -0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.00
    10   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    11   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.05  -0.02
    12   1     0.03   0.00   0.03     0.05   0.00   0.05     0.00   0.00   0.00
    13   1     0.01   0.01  -0.03     0.02   0.02  -0.06     0.00   0.00  -0.00
    14   1    -0.08   0.04  -0.28    -0.02   0.01  -0.08    -0.00   0.00  -0.01
    15   1     0.01  -0.01   0.02    -0.01   0.01  -0.01    -0.00   0.00  -0.00
    16   1    -0.00   0.01   0.01     0.00   0.01   0.01     0.00   0.00   0.00
    17   1    -0.09  -0.12   0.01     0.34   0.48  -0.04     0.00   0.00  -0.00
    18   1    -0.06   0.08  -0.04     0.25  -0.34   0.19     0.00  -0.00   0.00
    19   1     0.12  -0.03  -0.09    -0.48   0.12   0.35    -0.00   0.00   0.00
    20   1    -0.15  -0.13  -0.41    -0.04  -0.03  -0.11    -0.00  -0.00  -0.00
    21   1     0.34   0.47  -0.06     0.08   0.11  -0.01     0.00   0.00  -0.00
    22   1    -0.43   0.12   0.31    -0.10   0.03   0.07    -0.00   0.00   0.00
    23   1    -0.00  -0.02   0.00    -0.00  -0.01   0.00     0.01   0.03  -0.01
    24   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    25   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.12  -0.12   0.63
    26   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.38  -0.05  -0.08
    27   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.36  -0.40  -0.36
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3052.1694              3070.4364              3074.1289
 Red. masses --      1.0578                 1.0595                 1.1008
 Frc consts  --      5.8062                 5.8849                 6.1294
 IR Inten    --     43.4519                20.6379                16.8992
 RamAct Fr= 1--    204.4111               133.7205                56.2130
  Dep-P Fr= 1--      0.0966                 0.0746                 0.6060
  Dep-U Fr= 1--      0.1762                 0.1388                 0.7547
 Alpha2 Fr= 1--      3.6087                 2.4903                 0.1493
 Beta2  Fr= 1--      6.0029                 3.0938                 7.0707
 AlphaG Fr= 1--     -0.2114                 0.1571                 0.1146
 Gamma2 Fr= 1--      3.4276                 6.5938                -0.7460
 Delta2 Fr= 1--     -3.8395                -4.8270                 2.2663
 Raman1 Fr= 1--     817.644                534.882                224.852
 ROA1   Fr= 1--     206.186                478.545                  0.900
 CID1   Fr= 1--       0.252                  0.895                  0.004
 Raman2 Fr= 1--      72.035                 37.125                 84.848
 ROA2   Fr= 1--     112.978                196.868                -36.035
 CID2   Fr= 1--       1.568                  5.303                 -0.425
 Raman3 Fr= 1--     144.071                 74.250                169.697
 ROA3   Fr= 1--     206.186                478.545                  0.900
 CID3   Fr= 1--       1.431                  6.445                  0.005
 RC180  Fr= 1--      -0.648                 -0.722                  0.509
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.02   0.01  -0.01
     2   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     7   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00  -0.01  -0.00    -0.00  -0.00   0.00    -0.08  -0.03   0.03
     9   6     0.06   0.02  -0.00     0.01   0.00   0.01    -0.00  -0.00   0.00
    10   6     0.00  -0.01  -0.00    -0.03   0.06  -0.01     0.00  -0.00   0.00
    11   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    12   1    -0.51  -0.05  -0.54    -0.11  -0.01  -0.11    -0.00   0.00  -0.00
    13   1    -0.22  -0.19   0.57     0.01   0.01  -0.02     0.02   0.01  -0.04
    14   1    -0.01   0.01  -0.04     0.01  -0.00   0.02    -0.00  -0.00  -0.00
    15   1    -0.02   0.01  -0.03     0.39  -0.24   0.59    -0.02   0.01  -0.03
    16   1     0.01   0.09   0.09    -0.04  -0.44  -0.46     0.00   0.03   0.03
    17   1     0.03   0.05  -0.00     0.02   0.02  -0.00    -0.09  -0.14   0.01
    18   1     0.02  -0.03   0.01    -0.02   0.03  -0.02     0.01   0.00  -0.00
    19   1    -0.03   0.01   0.02    -0.05   0.01   0.04    -0.12   0.03   0.09
    20   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.01     0.02   0.02   0.11
    21   1     0.04   0.06  -0.01     0.02   0.03  -0.00     0.39   0.57  -0.06
    22   1    -0.03   0.01   0.02     0.02  -0.01  -0.02     0.52  -0.17  -0.38
    23   1    -0.00  -0.01   0.00    -0.00  -0.02   0.00    -0.00  -0.01   0.00
    24   1    -0.00  -0.00   0.00     0.00   0.03  -0.01    -0.00  -0.00   0.00
    25   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    26   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    27   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3085.1836              3085.5797              3096.5469
 Red. masses --      1.1016                 1.1016                 1.0994
 Frc consts  --      6.1778                 6.1792                 6.2110
 IR Inten    --     26.0360                38.9282                 6.2940
 RamAct Fr= 1--     57.8952               102.9475                37.2126
  Dep-P Fr= 1--      0.6994                 0.7279                 0.7323
  Dep-U Fr= 1--      0.8231                 0.8425                 0.8455
 Alpha2 Fr= 1--      0.0511                 0.0391                 0.0113
 Beta2  Fr= 1--      7.9421                14.4557                 5.2437
 AlphaG Fr= 1--     -0.0429                 0.0799                 0.1157
 Gamma2 Fr= 1--     14.9372                 8.5630                14.4465
 Delta2 Fr= 1--     15.2050                 0.9865                 9.9427
 Raman1 Fr= 1--     231.581                411.790                148.850
 ROA1   Fr= 1--    1920.531                853.617               1705.034
 CID1   Fr= 1--       8.293                  2.073                 11.455
 Raman2 Fr= 1--      95.305                173.468                 62.925
 ROA2   Fr= 1--     236.853                197.621                267.175
 CID2   Fr= 1--       2.485                  1.139                  4.246
 Raman3 Fr= 1--     190.611                346.936                125.849
 ROA3   Fr= 1--    1920.531                853.617               1705.034
 CID3   Fr= 1--      10.076                  2.460                 13.548
 RC180  Fr= 1--       0.646                  0.685                  0.691
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00   0.01    -0.07  -0.03   0.03    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     8   6    -0.01  -0.05  -0.07    -0.02   0.00   0.03     0.00   0.00   0.00
     9   6    -0.00  -0.00   0.01    -0.00   0.00  -0.01     0.00  -0.00   0.01
    10   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.02  -0.02  -0.08
    12   1    -0.04  -0.00  -0.04     0.06   0.01   0.06    -0.05  -0.01  -0.05
    13   1     0.05   0.04  -0.11    -0.04  -0.03   0.09     0.03   0.02  -0.07
    14   1     0.01  -0.00   0.03    -0.00   0.00  -0.01     0.00  -0.00   0.00
    15   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.01   0.01
    16   1    -0.00  -0.00  -0.00    -0.00  -0.03  -0.03     0.00   0.03   0.03
    17   1     0.09   0.14  -0.01     0.38   0.55  -0.03     0.00   0.01  -0.00
    18   1     0.03  -0.04   0.03    -0.02   0.00   0.00     0.01  -0.01   0.01
    19   1     0.15  -0.04  -0.11     0.50  -0.14  -0.38     0.02  -0.00  -0.01
    20   1     0.27   0.22   0.74    -0.07  -0.05  -0.17    -0.00  -0.00  -0.01
    21   1     0.18   0.25  -0.05     0.05   0.08  -0.00    -0.00  -0.00   0.00
    22   1    -0.30   0.08   0.20     0.21  -0.07  -0.15     0.01  -0.00  -0.00
    23   1    -0.00  -0.01   0.00    -0.00  -0.03   0.01     0.00   0.00  -0.00
    24   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    25   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.14  -0.15   0.67
    26   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.01  -0.01  -0.02
    27   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.39   0.44   0.37
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3096.6706              3099.1354              3118.9788
 Red. masses --      1.1076                 1.1004                 1.1078
 Frc consts  --      6.2577                 6.2270                 6.3492
 IR Inten    --     20.6574                30.1254                40.0595
 RamAct Fr= 1--    117.9383                31.1452                82.6779
  Dep-P Fr= 1--      0.5930                 0.6414                 0.5871
  Dep-U Fr= 1--      0.7445                 0.7815                 0.7398
 Alpha2 Fr= 1--      0.3444                 0.0611                 0.2515
 Beta2  Fr= 1--     14.6341                 4.0566                10.1943
 AlphaG Fr= 1--      0.2140                 0.0791                 0.6970
 Gamma2 Fr= 1--    -39.6631                13.2185                -5.0834
 Delta2 Fr= 1--     -6.1128                 0.1578                -5.7957
 Raman1 Fr= 1--     471.753                124.581                330.712
 ROA1   Fr= 1--   -4003.265               1274.021               -673.467
 CID1   Fr= 1--      -8.486                 10.226                 -2.036
 Raman2 Fr= 1--     175.610                 48.680                122.332
 ROA2   Fr= 1--    -903.011                315.981                -75.635
 CID2   Fr= 1--      -5.142                  6.491                 -0.618
 Raman3 Fr= 1--     351.219                 97.359                244.663
 ROA3   Fr= 1--   -4003.265               1274.021               -673.467
 CID3   Fr= 1--     -11.398                 13.086                 -2.753
 RC180  Fr= 1--       0.489                  0.563                  0.480
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.00     0.04  -0.08   0.02    -0.00   0.01  -0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.01
     4   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     6   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     7   8     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   6    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   6    -0.01   0.01  -0.08    -0.00  -0.00   0.01    -0.01   0.00  -0.04
    10   6     0.01   0.02   0.03    -0.00  -0.01  -0.01    -0.03  -0.02  -0.08
    11   6     0.00  -0.00  -0.01     0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   1     0.39   0.05   0.38    -0.02  -0.00  -0.02     0.21   0.02   0.21
    13   1    -0.26  -0.21   0.60     0.03   0.02  -0.07    -0.10  -0.08   0.22
    14   1    -0.01   0.00  -0.03     0.00  -0.00   0.01     0.02  -0.01   0.07
    15   1    -0.09   0.06  -0.13     0.02  -0.02   0.03     0.33  -0.22   0.49
    16   1    -0.02  -0.25  -0.24     0.01   0.12   0.12     0.02   0.47   0.45
    17   1    -0.01  -0.02   0.00     0.20   0.26  -0.02    -0.02  -0.03   0.00
    18   1    -0.06   0.08  -0.05    -0.46   0.63  -0.36     0.05  -0.07   0.04
    19   1    -0.10   0.03   0.08    -0.24   0.05   0.19     0.02  -0.00  -0.01
    20   1     0.05   0.03   0.12     0.01   0.01   0.03     0.01   0.01   0.04
    21   1     0.03   0.04  -0.01     0.01   0.01  -0.00     0.01   0.01  -0.00
    22   1    -0.05   0.01   0.03    -0.02   0.01   0.01    -0.01   0.00   0.01
    23   1    -0.00  -0.01   0.00    -0.00  -0.02   0.01     0.00  -0.00   0.00
    24   1    -0.00  -0.01   0.00     0.00   0.00  -0.00     0.01   0.04  -0.01
    25   1     0.02  -0.02   0.08     0.00  -0.00   0.00     0.00  -0.00   0.00
    26   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    27   1    -0.05   0.05   0.04     0.00  -0.00  -0.00     0.00  -0.00  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3133.7000              3146.1009              3171.5175
 Red. masses --      1.0877                 1.1011                 1.0885
 Frc consts  --      6.2931                 6.4214                 6.4508
 IR Inten    --     10.7506                10.8375                 5.8683
 RamAct Fr= 1--     77.6202                89.4772                45.2164
  Dep-P Fr= 1--      0.1934                 0.5785                 0.2076
  Dep-U Fr= 1--      0.3241                 0.7330                 0.3438
 Alpha2 Fr= 1--      1.0727                 0.2881                 0.6017
 Beta2  Fr= 1--      4.1924                10.9304                 2.5912
 AlphaG Fr= 1--      0.4433                -0.1402                -0.5563
 Gamma2 Fr= 1--      0.0218                -1.0641                 0.0101
 Delta2 Fr= 1--      0.7001                -2.7800                 1.9892
 Raman1 Fr= 1--     310.481                357.909                180.866
 ROA1   Fr= 1--      24.494               -191.111                 64.621
 CID1   Fr= 1--       0.079                 -0.534                  0.357
 Raman2 Fr= 1--      50.309                131.165                 31.095
 ROA2   Fr= 1--      -5.079                 -3.298                -15.672
 CID2   Fr= 1--      -0.101                 -0.025                 -0.504
 Raman3 Fr= 1--     100.618                262.331                 62.189
 ROA3   Fr= 1--      24.494               -191.111                 64.621
 CID3   Fr= 1--       0.243                 -0.729                  1.039
 RC180  Fr= 1--      -0.352                  0.466                 -0.312
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.01  -0.08   0.02     0.00   0.01  -0.00    -0.00  -0.01   0.00
     5   6    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.01  -0.08   0.02
     6   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     9   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    11   6    -0.01  -0.00  -0.00    -0.09   0.01  -0.02     0.00   0.00   0.00
    12   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   1    -0.00  -0.00   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    14   1    -0.01   0.01  -0.04     0.00  -0.00   0.00     0.00   0.00   0.00
    15   1     0.01  -0.01   0.01    -0.00   0.00  -0.00    -0.03   0.02  -0.04
    16   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.01  -0.01
    17   1     0.02   0.03  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    18   1    -0.01   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    20   1     0.00   0.00   0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   1     0.01   0.02  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23   1     0.17   0.94  -0.24    -0.01  -0.09   0.02     0.01   0.09  -0.02
    24   1    -0.01  -0.08   0.02     0.00   0.03  -0.01     0.14   0.95  -0.24
    25   1    -0.00  -0.00   0.00     0.04  -0.05   0.26    -0.00   0.00  -0.00
    26   1     0.09   0.02   0.02     0.89   0.14   0.18    -0.02  -0.00  -0.00
    27   1     0.00  -0.00  -0.00     0.14  -0.17  -0.16    -0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   827.057553373.570223697.61844
           X            0.99990   0.01286  -0.00560
           Y           -0.01289   0.99990  -0.00527
           Z            0.00553   0.00534   0.99997
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10473     0.02567     0.02342
 Rotational constants (GHZ):           2.18212     0.53496     0.48808
 Zero-point vibrational energy     622113.0 (Joules/Mol)
                                  148.68857 (Kcal/Mol)
 Warning -- explicit consideration of  18 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     51.84   103.61   124.30   179.23   218.80
          (Kelvin)            238.99   311.31   346.18   364.48   386.30
                              408.77   512.19   538.54   643.96   679.24
                              752.52   820.89   857.87   908.55  1072.42
                             1134.81  1172.81  1247.87  1268.72  1319.16
                             1367.60  1377.91  1396.43  1441.12  1444.64
                             1465.04  1474.04  1511.61  1567.01  1667.30
                             1689.45  1707.35  1763.65  1791.94  1817.05
                             1844.01  1847.32  1856.32  1892.49  1929.62
                             1984.20  1998.03  2023.12  2047.87  2116.99
                             2129.53  2133.76  2135.57  2149.22  2161.18
                             2166.09  2170.24  2439.85  2499.20  4335.42
                             4341.91  4357.73  4374.93  4391.39  4417.67
                             4422.99  4438.89  4439.46  4455.24  4455.42
                             4458.96  4487.51  4508.70  4526.54  4563.11
 
 Zero-point correction=                           0.236950 (Hartree/Particle)
 Thermal correction to Energy=                    0.249428
 Thermal correction to Enthalpy=                  0.250372
 Thermal correction to Gibbs Free Energy=         0.198137
 Sum of electronic and zero-point Energies=           -465.874851
 Sum of electronic and thermal Energies=              -465.862373
 Sum of electronic and thermal Enthalpies=            -465.861429
 Sum of electronic and thermal Free Energies=         -465.913664
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  156.518             46.420            109.939
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             30.712
 Vibrational            154.741             40.458             38.258
 Vibration     1          0.594              1.982              5.466
 Vibration     2          0.598              1.967              4.098
 Vibration     3          0.601              1.959              3.740
 Vibration     4          0.610              1.928              3.028
 Vibration     5          0.619              1.900              2.646
 Vibration     6          0.624              1.884              2.479
 Vibration     7          0.645              1.816              1.989
 Vibration     8          0.658              1.778              1.798
 Vibration     9          0.664              1.757              1.707
 Vibration    10          0.673              1.731              1.606
 Vibration    11          0.683              1.703              1.509
 Vibration    12          0.731              1.563              1.140
 Vibration    13          0.745              1.525              1.062
 Vibration    14          0.807              1.366              0.803
 Vibration    15          0.829              1.312              0.732
 Vibration    16          0.878              1.199              0.603
 Vibration    17          0.927              1.095              0.503
 Vibration    18          0.954              1.040              0.456
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.730449D-91        -91.136410       -209.849339
 Total V=0       0.712975D+18         17.853075         41.108223
 Vib (Bot)       0.861463-105       -105.064763       -241.920558
 Vib (Bot)    1  0.574367D+01          0.759190          1.748099
 Vib (Bot)    2  0.286309D+01          0.456835          1.051902
 Vib (Bot)    3  0.238134D+01          0.376821          0.867663
 Vib (Bot)    4  0.163868D+01          0.214495          0.493893
 Vib (Bot)    5  0.133258D+01          0.124693          0.287116
 Vib (Bot)    6  0.121474D+01          0.084485          0.194534
 Vib (Bot)    7  0.915557D+00         -0.038315         -0.088223
 Vib (Bot)    8  0.814711D+00         -0.088996         -0.204921
 Vib (Bot)    9  0.769207D+00         -0.113957         -0.262395
 Vib (Bot)   10  0.720352D+00         -0.142455         -0.328015
 Vib (Bot)   11  0.675234D+00         -0.170546         -0.392696
 Vib (Bot)   12  0.516239D+00         -0.287149         -0.661185
 Vib (Bot)   13  0.484960D+00         -0.314294         -0.723688
 Vib (Bot)   14  0.383902D+00         -0.415779         -0.957367
 Vib (Bot)   15  0.356660D+00         -0.447745         -1.030972
 Vib (Bot)   16  0.307754D+00         -0.511796         -1.178453
 Vib (Bot)   17  0.269604D+00         -0.569274         -1.310801
 Vib (Bot)   18  0.251397D+00         -0.599640         -1.380721
 Vib (V=0)       0.840855D+04          3.924721          9.037005
 Vib (V=0)    1  0.626540D+01          0.796949          1.835042
 Vib (V=0)    2  0.340642D+01          0.532299          1.225663
 Vib (V=0)    3  0.293326D+01          0.467351          1.076116
 Vib (V=0)    4  0.221327D+01          0.345034          0.794469
 Vib (V=0)    5  0.192329D+01          0.284046          0.654039
 Vib (V=0)    6  0.181362D+01          0.258547          0.595326
 Vib (V=0)    7  0.154319D+01          0.188419          0.433851
 Vib (V=0)    8  0.145591D+01          0.163133          0.375628
 Vib (V=0)    9  0.141743D+01          0.151502          0.348846
 Vib (V=0)   10  0.137687D+01          0.138894          0.319815
 Vib (V=0)   11  0.134020D+01          0.127171          0.292821
 Vib (V=0)   12  0.121868D+01          0.085890          0.197769
 Vib (V=0)   13  0.119655D+01          0.077932          0.179445
 Vib (V=0)   14  0.113038D+01          0.053225          0.122555
 Vib (V=0)   15  0.111417D+01          0.046952          0.108111
 Vib (V=0)   16  0.108712D+01          0.036278          0.083534
 Vib (V=0)   17  0.106805D+01          0.028594          0.065839
 Vib (V=0)   18  0.105964D+01          0.025160          0.057932
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.114979D+07          6.060619         13.955092
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000005070   -0.000002792   -0.000001900
      2        6           0.000000477    0.000008275   -0.000012231
      3        6           0.000002361   -0.000001689    0.000007765
      4        6          -0.000000935    0.000002649    0.000002855
      5        6           0.000001046   -0.000004946   -0.000004627
      6        6          -0.000001547    0.000003038    0.000001242
      7        8          -0.000001311   -0.000000360    0.000005208
      8        6           0.000001029   -0.000001641    0.000004791
      9        6          -0.000008766   -0.000000465    0.000005282
     10        6           0.000005641   -0.000004578   -0.000002329
     11        6           0.000004866   -0.000006368   -0.000016457
     12        1          -0.000001472    0.000002830    0.000002842
     13        1           0.000001791    0.000001951    0.000003175
     14        1          -0.000001718   -0.000003327    0.000001251
     15        1          -0.000001260    0.000001603   -0.000001259
     16        1          -0.000001065   -0.000000265    0.000002730
     17        1           0.000001053    0.000000473   -0.000000476
     18        1           0.000000024    0.000003758   -0.000000882
     19        1           0.000002114    0.000002156    0.000000743
     20        1           0.000001628   -0.000001322    0.000001742
     21        1           0.000000523    0.000000298   -0.000000754
     22        1           0.000001204    0.000001068    0.000000263
     23        1           0.000001596   -0.000001148   -0.000001522
     24        1          -0.000000119    0.000001189   -0.000000490
     25        1          -0.000002879    0.000002462    0.000002264
     26        1          -0.000000250   -0.000001128   -0.000002431
     27        1           0.000001040   -0.000001724    0.000003204
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000016457 RMS     0.000003694
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.166889D+03 -0.611402D+01  0.651786D+01
      2  -0.611402D+01  0.121770D+03 -0.302552D+01
      3   0.651786D+01 -0.302552D+01  0.104102D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.264939D+01 -0.187582D+01 -0.112836D+02
      2   0.408952D+02 -0.142312D+02 -0.367187D+02
      3   0.360114D+00  0.214020D+02  0.121227D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.512285D+02 -0.177819D+02  0.363790D+02
      2  -0.881859D+01  0.192558D+02 -0.178396D+02
      3  -0.424099D+02 -0.147386D+01 -0.185394D+02
      4   0.905927D+00 -0.373708D+02 -0.340526D+02
      5   0.319696D+02 -0.321948D+02 -0.914053D+02
      6  -0.106554D+02 -0.478869D+01  0.263417D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.311593D+01 -0.203603D+01 -0.412931D+01 -0.138321D+01 -0.393570D+01
      2  -0.203603D+01 -0.379065D+01  0.221442D+01 -0.393570D+01 -0.186589D+01
      3  -0.412931D+01  0.221442D+01  0.363674D+01  0.228620D+01 -0.195150D+01
                 6             7             8             9            10 
      1   0.228620D+01 -0.354676D+01  0.274225D+01  0.344751D+01 -0.198120D+02
      2  -0.195150D+01  0.274225D+01 -0.131043D+01  0.778018D+00  0.438254D+01
      3   0.156443D+01  0.344751D+01  0.778018D+00  0.843800D+00  0.319293D+01
                11            12            13            14            15 
      1   0.438254D+01  0.319293D+01  0.109318D+02  0.203088D+01 -0.264261D+01
      2   0.270421D+01 -0.224699D+01  0.203088D+01  0.462365D+01  0.145398D+01
      3  -0.224699D+01 -0.350632D+01 -0.264261D+01  0.145398D+01 -0.936319D+00
                16            17            18            19            20 
      1   0.126824D+02 -0.389312D+01 -0.535189D+01  0.334519D+02 -0.506556D+01
      2  -0.389312D+01  0.259599D+01 -0.349278D+00 -0.506556D+01  0.281014D+01
      3  -0.535189D+01 -0.349278D+00 -0.282011D+01  0.604489D+00  0.861085D+00
                21            22            23            24            25 
      1   0.604489D+00 -0.933605D+01  0.338275D+01  0.188752D+01 -0.464623D+01
      2   0.861085D+00  0.338275D+01  0.187123D+01 -0.187252D+01  0.214586D+01
      3   0.296681D+01  0.188752D+01 -0.187252D+01 -0.225455D+01  0.647687D+01
                26            27            28            29            30 
      1   0.214586D+01  0.647687D+01 -0.494579D+02  0.578918D+01 -0.463644D+01
      2  -0.283841D+01 -0.191956D+01  0.578918D+01 -0.249209D+01 -0.129316D+00
      3  -0.191956D+01  0.540151D+01 -0.463644D+01 -0.129316D+00 -0.282921D+01
                31            32            33            34            35 
      1   0.144776D+02 -0.466219D+01  0.102847D+01 -0.136950D+02  0.491756D+00
      2  -0.466219D+01 -0.218038D+01  0.128844D+01  0.491756D+00  0.107115D+01
      3   0.102847D+01  0.128844D+01  0.185051D+01 -0.644326D+01  0.996699D+00
                36            37            38            39            40 
      1  -0.644326D+01  0.496199D+02 -0.777855D+01  0.661525D+01 -0.111331D+02
      2   0.996699D+00 -0.777855D+01  0.111937D+01 -0.417288D+00  0.381754D+01
      3  -0.500627D+01  0.661525D+01 -0.417288D+00  0.284701D+01 -0.438812D+00
                41            42            43            44            45 
      1   0.381754D+01 -0.438812D+00  0.142904D+02 -0.126940D+01  0.574864D+01
      2   0.278803D+01 -0.169820D+01 -0.126940D+01 -0.180229D+01 -0.125510D+01
      3  -0.169820D+01 -0.215426D+01  0.574864D+01 -0.125510D+01  0.277178D+01
                46            47            48            49            50 
      1  -0.351616D+02  0.780556D+01 -0.707072D+01  0.629943D+01 -0.411057D+01
      2   0.780556D+01 -0.114441D+01  0.193053D+01 -0.411057D+01 -0.239316D+01
      3  -0.707072D+01  0.193053D+01 -0.587179D+00  0.250550D+01  0.458789D-01
                51            52            53            54            55 
      1   0.250550D+01 -0.913085D+01  0.299240D+01 -0.199847D+01  0.285674D+02
      2   0.458789D-01  0.299240D+01  0.514217D+00  0.822744D+00 -0.688166D+01
      3   0.867527D+00 -0.199847D+01  0.822744D+00 -0.718495D+00  0.518178D+01
                56            57            58            59            60 
      1  -0.688166D+01  0.518178D+01 -0.191536D+02  0.719536D+01 -0.367417D+01
      2   0.262654D+01 -0.129148D+01  0.719536D+01 -0.522779D+01  0.184345D+01
      3  -0.129148D+01  0.178176D+01 -0.367417D+01  0.184345D+01 -0.165387D+01
                61            62            63            64            65 
      1   0.987479D+01 -0.201414D+01  0.574424D+01  0.591353D+01 -0.281262D+01
      2  -0.201414D+01  0.838115D+00 -0.263087D+01 -0.281262D+01 -0.333951D+01
      3   0.574424D+01 -0.263087D+01  0.347176D+01 -0.225110D+01  0.279060D+01
                66            67            68            69            70 
      1  -0.225110D+01 -0.209472D+01 -0.276601D+01  0.308098D+01 -0.422423D+01
      2   0.279060D+01 -0.276601D+01 -0.332140D+01 -0.505010D+00  0.312160D+01
      3   0.285425D+01  0.308098D+01 -0.505010D+00  0.178000D+01  0.396046D+01
                71            72            73            74            75 
      1   0.312160D+01  0.396046D+01  0.252901D+01  0.209579D+01  0.163139D+01
      2  -0.106796D+01  0.682177D+00  0.209579D+01 -0.254849D+01 -0.902467D+00
      3   0.682177D+00  0.449492D+01  0.163139D+01 -0.902467D+00  0.314512D+01
                76            77            78            79            80 
      1   0.313217D+01 -0.303613D+01 -0.192403D+01 -0.642523D-01 -0.131084D+01
      2  -0.303613D+01 -0.581437D+01 -0.406632D+00 -0.131084D+01 -0.102249D+01
      3  -0.192403D+01 -0.406632D+00  0.143825D+01  0.524606D+01  0.217862D+01
                81            82            83            84            85 
      1   0.524606D+01  0.312233D+01 -0.243060D+01 -0.220291D+01 -0.307808D+01
      2   0.217862D+01 -0.243060D+01 -0.162217D+01  0.180458D+01 -0.229500D+01
      3  -0.143115D+01 -0.220291D+01  0.180458D+01 -0.908682D+00  0.151806D+01
                86            87            88            89            90 
      1  -0.229500D+01  0.151806D+01 -0.179842D+01  0.211513D+01 -0.133433D+01
      2   0.124168D+01  0.301985D+01  0.211513D+01  0.435722D+01  0.280911D+01
      3   0.301985D+01  0.228116D+01 -0.133433D+01  0.280911D+01 -0.419774D+00
                91            92            93            94            95 
      1  -0.849155D+01 -0.208708D+01 -0.216592D+01  0.694873D+00  0.385370D+01
      2  -0.208708D+01  0.317343D+01 -0.710460D-02  0.385370D+01  0.148570D+01
      3  -0.216592D+01 -0.710460D-02  0.179015D+01 -0.709404D-01 -0.137207D+01
                96            97            98            99           100 
      1  -0.709404D-01 -0.327289D+01 -0.258490D+00  0.694910D+00 -0.678767D+01
      2  -0.137207D+01 -0.258490D+00 -0.143947D+01 -0.263735D+01 -0.165056D+01
      3  -0.194656D+01  0.694910D+00 -0.263735D+01  0.392293D+01 -0.286157D+01
               101           102           103           104           105 
      1  -0.165056D+01 -0.286157D+01 -0.524695D+00 -0.985440D+00 -0.160473D+00
      2  -0.124252D+01 -0.502914D+00 -0.985440D+00 -0.216667D+00 -0.615507D+00
      3  -0.502914D+00 -0.227371D+01 -0.160473D+00 -0.615507D+00 -0.386079D+00
               106           107           108           109           110 
      1  -0.487624D+01 -0.772775D+00 -0.326715D+01 -0.330248D+01 -0.166730D+01
      2  -0.772775D+00 -0.136301D+01 -0.107860D+01 -0.166730D+01 -0.807247D+00
      3  -0.326715D+01 -0.107860D+01 -0.284239D+01  0.197680D+01  0.882444D+00
               111           112           113           114           115 
      1   0.197680D+01 -0.106124D+01 -0.138770D+01  0.108542D+01  0.435562D+01
      2   0.882444D+00 -0.138770D+01 -0.143692D+01  0.142159D+01  0.191730D+01
      3  -0.206425D+01  0.108542D+01  0.142159D+01 -0.139246D+01 -0.415909D+01
               116           117           118           119           120 
      1   0.191730D+01 -0.415909D+01 -0.468716D+01  0.107101D+01 -0.187356D+01
      2   0.235123D+01 -0.218118D+01  0.107101D+01 -0.581432D+00  0.611536D-01
      3  -0.218118D+01  0.543381D+01 -0.187356D+01  0.611536D-01 -0.178670D+01
               121           122           123           124           125 
      1   0.433583D+01 -0.118969D+01  0.164976D+00 -0.326491D+01 -0.621362D-01
      2  -0.118969D+01  0.269486D+00 -0.104832D+01 -0.621362D-01 -0.108800D+01
      3   0.164976D+00 -0.104832D+01  0.113928D+01 -0.329235D+01  0.104167D+01
               126           127           128           129           130 
      1  -0.329235D+01  0.192716D+01 -0.356496D+00  0.107890D+01 -0.372854D+00
      2   0.104167D+01 -0.356496D+00  0.149217D+01 -0.777129D+00  0.937210D+00
      3  -0.878778D+01  0.107890D+01 -0.777129D+00  0.126024D+01 -0.542948D+00
               131           132           133           134           135 
      1   0.937210D+00 -0.542948D+00  0.179422D+01 -0.689625D+00  0.978363D+00
      2  -0.239123D+01  0.898768D+00 -0.689625D+00  0.185817D+01 -0.181699D+01
      3   0.898768D+00 -0.121754D+01  0.978363D+00 -0.181699D+01  0.299947D+01
               136           137           138           139           140 
      1  -0.754230D+00 -0.104061D+01 -0.488461D+00 -0.368209D+00 -0.376068D+00
      2  -0.104061D+01 -0.143145D+00 -0.203072D+00 -0.376068D+00 -0.738100D+01
      3  -0.488461D+00 -0.203072D+00  0.244115D-01 -0.234019D+00 -0.350298D+01
               141           142           143           144           145 
      1  -0.234019D+00 -0.104872D+01 -0.481995D+00  0.104074D+00  0.229777D+01
      2  -0.350298D+01 -0.481995D+00 -0.498201D+01 -0.362826D+01  0.212333D+01
      3  -0.245314D+01  0.104074D+00 -0.362826D+01 -0.338916D+01  0.751398D+00
               146           147           148           149           150 
      1   0.212333D+01  0.751398D+00  0.204797D+01  0.238835D+01  0.149595D+00
      2   0.279211D+01  0.486201D+00  0.238835D+01  0.564172D+01  0.145584D+01
      3   0.486201D+00  0.708311D+00  0.149595D+00  0.145584D+01  0.145899D+01
               151           152           153           154           155 
      1   0.641624D-01 -0.156179D+00  0.214830D+00  0.183776D+01 -0.864323D+00
      2  -0.156179D+00  0.215525D+00  0.753691D+00 -0.864323D+00  0.150153D+01
      3   0.214830D+00  0.753691D+00  0.368021D+00  0.143096D+01 -0.703606D+00
               156           157           158           159           160 
      1   0.143096D+01 -0.137180D+01  0.143188D+01 -0.868406D+00  0.123052D+01
      2  -0.703606D+00  0.143188D+01 -0.245074D+01  0.132901D+01 -0.739180D+00
      3   0.130754D+01 -0.868406D+00  0.132901D+01 -0.253416D+01  0.661757D+00
               161           162           163           164           165 
      1  -0.739180D+00  0.661757D+00 -0.545673D+01  0.162955D+01  0.377461D+01
      2   0.118341D+01 -0.126119D+01  0.162955D+01 -0.117906D+01 -0.149402D+01
      3  -0.126119D+01  0.268356D+01  0.377461D+01 -0.149402D+01 -0.428432D+01
               166           167           168           169           170 
      1   0.816817D+00 -0.755093D+00 -0.886605D+00  0.255949D+01 -0.108425D+01
      2  -0.755093D+00  0.125199D+01  0.136437D+01 -0.108425D+01  0.109030D+01
      3  -0.886605D+00  0.136437D+01  0.874967D+00 -0.325536D+01  0.129824D+01
               171           172           173           174           175 
      1  -0.325536D+01 -0.250798D+01  0.296876D+00 -0.174365D+01 -0.857183D+00
      2   0.129824D+01  0.296876D+00 -0.576521D-01 -0.198700D+00  0.718139D-01
      3   0.471330D+01 -0.174365D+01 -0.198700D+00 -0.223169D+01 -0.796079D+00
               176           177           178           179           180 
      1   0.718139D-01 -0.796079D+00 -0.237585D+01  0.139061D+00 -0.327543D+01
      2  -0.426977D+00 -0.824338D+00  0.139061D+00 -0.137883D+01  0.142806D+00
      3  -0.824338D+00 -0.138369D+01 -0.327543D+01  0.142806D+00 -0.711585D+01
               181           182           183           184           185 
      1   0.136652D+01  0.150899D+01  0.259950D-01  0.166528D+01  0.107373D+01
      2   0.150899D+01  0.370879D+01 -0.838342D+00  0.107373D+01  0.793014D+01
      3   0.259950D-01 -0.838342D+00  0.613816D+00 -0.314164D+00 -0.118001D+01
               186           187           188           189           190 
      1  -0.314164D+00  0.337281D+00 -0.500338D+00 -0.980915D-01 -0.818381D+01
      2  -0.118001D+01 -0.500338D+00 -0.682138D+00  0.115478D+01  0.343634D+01
      3   0.105649D+01 -0.980915D-01  0.115478D+01 -0.906466D+00  0.206718D+01
               191           192           193           194           195 
      1   0.343634D+01  0.206718D+01  0.175847D+01 -0.178467D+01 -0.844269D+00
      2  -0.202151D+01 -0.904993D+00 -0.178467D+01  0.211208D+01  0.689222D+00
      3  -0.904993D+00 -0.187846D+01 -0.844269D+00  0.689222D+00  0.343976D+00
               196           197           198           199           200 
      1   0.457924D+01 -0.209980D+01 -0.238060D+01 -0.458476D+00  0.138874D+01
      2  -0.209980D+01  0.195572D+01  0.885394D+00  0.138874D+01  0.817582D+00
      3  -0.238060D+01  0.885394D+00  0.161885D+01 -0.687136D+00 -0.162119D+00
               201           202           203           204           205 
      1  -0.687136D+00  0.170492D+01  0.104999D+01 -0.483992D-01 -0.185026D+01
      2  -0.162119D+00  0.104999D+01  0.594811D+01 -0.175895D+01  0.297463D+00
      3  -0.706751D-01 -0.483992D-01 -0.175895D+01  0.122201D+01  0.835294D+00
               206           207           208           209           210 
      1   0.297463D+00  0.835294D+00  0.453201D+00 -0.108635D+01  0.407158D+00
      2  -0.146421D+01  0.907202D+00 -0.108635D+01 -0.200693D+00 -0.184493D-01
      3   0.907202D+00 -0.543359D+00  0.407158D+00 -0.184493D-01  0.140010D+00
               211           212           213           214           215 
      1  -0.198157D+01 -0.418322D+00 -0.522202D-01  0.633913D+00 -0.103956D+00
      2  -0.418322D+00 -0.670859D+01  0.110049D+01 -0.103956D+00  0.154638D+01
      3  -0.522202D-01  0.110049D+01 -0.104131D+01 -0.340612D+00 -0.768324D+00
               216           217           218           219           220 
      1  -0.340612D+00  0.124611D+01  0.381032D+00 -0.554920D+00  0.111823D+01
      2  -0.768324D+00  0.381032D+00 -0.903631D+00  0.171611D+00 -0.982673D-02
      3   0.375654D+00 -0.554920D+00  0.171611D+00 -0.630249D+00  0.255738D-01
               221           222           223           224           225 
      1  -0.982673D-02  0.255738D-01 -0.182347D+01 -0.881200D+00  0.535819D+00
      2   0.141021D+01 -0.113418D+01 -0.881200D+00 -0.231895D+01  0.238871D+01
      3  -0.113418D+01  0.144023D+01  0.535819D+00  0.238871D+01 -0.693447D+01
               226           227           228           229           230 
      1   0.103072D+02  0.298380D+01  0.771230D+00  0.148862D+01  0.119436D+01
      2   0.298380D+01  0.188453D+01  0.194464D+00  0.119436D+01  0.764691D+00
      3   0.771230D+00  0.194464D+00  0.118197D+01  0.175418D+00  0.363891D+00
               231           232           233           234           235 
      1   0.175418D+00  0.157015D+01  0.524954D+00  0.118901D+01 -0.694165D+00
      2   0.363891D+00  0.524954D+00  0.664343D+00  0.689676D+00  0.865003D+00
      3   0.358749D+00  0.118901D+01  0.689676D+00  0.175384D+00  0.115562D+01
               236           237           238           239           240 
      1   0.865003D+00  0.115562D+01  0.224436D+01 -0.715159D+00 -0.409586D+00
      2  -0.255617D+01 -0.599098D+00 -0.715159D+00  0.447640D+01  0.159544D+01
      3  -0.599098D+00 -0.120669D+01 -0.409586D+00  0.159544D+01  0.167738D+01
               241           242           243 
      1   0.164586D+01 -0.170367D+00 -0.641195D+00
      2  -0.170367D+00  0.251641D+01  0.199718D+01
      3  -0.641195D+00  0.199718D+01  0.164054D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.994999D+00 -0.112194D+02  0.186569D+01 -0.117282D+02 -0.297243D+01
      2   0.723873D+01  0.953623D+00  0.551494D+01 -0.437958D+00  0.123433D+02
      3  -0.223088D+01 -0.111388D+02 -0.964898D+00 -0.639117D+01 -0.768053D+01
                 6             7             8             9            10 
      1  -0.891150D+01  0.198757D+01 -0.207116D+01  0.306963D+01 -0.825145D+01
      2  -0.770580D+01 -0.138097D+01 -0.598005D+01 -0.769797D+01 -0.239872D+02
      3  -0.222852D+00  0.117177D+01  0.201947D+00  0.432096D+01  0.393935D+01
                11            12            13            14            15 
      1   0.610157D+01  0.259070D+01  0.714181D+01 -0.725537D+00 -0.400894D+01
      2   0.807947D+01  0.123912D+02  0.147425D+02 -0.692247D+01  0.252056D+01
      3   0.656332D+01 -0.171859D+01  0.151557D+02  0.154200D+02  0.161020D+01
                16            17            18            19            20 
      1   0.449616D+01  0.572512D+01  0.910682D+00  0.114159D+02 -0.447177D+01
      2   0.141644D+02  0.128188D+01  0.410961D+01  0.252602D+02 -0.605362D+01
      3  -0.299765D+01  0.547766D+00 -0.420951D+01 -0.298349D+01 -0.477843D+01
                21            22            23            24            25 
      1  -0.245464D+01 -0.629174D+01 -0.534716D+01 -0.645192D+00 -0.762121D+01
      2   0.835671D+00 -0.117230D+02  0.550761D+01  0.414048D+01 -0.181852D+02
      3  -0.902292D+00  0.803332D+01 -0.188525D+01 -0.569259D+00 -0.265033D+01
                26            27            28            29            30 
      1   0.509713D+01  0.313456D+01 -0.114623D+02  0.170593D+01  0.114626D+01
      2   0.405877D+01  0.287209D+01 -0.293125D+02  0.295026D+01 -0.787478D+01
      3  -0.832989D+00 -0.189648D+01  0.351718D+01  0.241167D+01  0.222355D+01
                31            32            33            34            35 
      1   0.337608D+01  0.335287D+01 -0.202709D+01  0.595497D+01  0.292616D+01
      2   0.831658D+01 -0.310847D+01  0.192385D+01 -0.405865D+02  0.311213D+01
      3   0.181234D+02 -0.722620D+00  0.858800D+00  0.695067D+01  0.147024D+01
                36            37            38            39            40 
      1  -0.912817D+00  0.930649D+01 -0.153393D+01 -0.251668D+01 -0.788285D+01
      2  -0.106567D+02  0.364013D+02 -0.418647D+01  0.132333D+02 -0.639590D+01
      3   0.736314D+00  0.444784D+01 -0.623499D+01 -0.157751D+01  0.894455D+01
                41            42            43            44            45 
      1   0.590797D-01 -0.240041D+01 -0.611766D+01  0.458192D+00 -0.644831D+00
      2  -0.825025D+00  0.350960D+00  0.133983D+02 -0.345107D+00  0.732327D+01
      3  -0.121587D+02  0.461253D+01 -0.437575D+01  0.299780D+01  0.226506D+00
                46            47            48            49            50 
      1  -0.874678D+01 -0.134723D+01  0.940510D+01 -0.107723D+01  0.696443D+01
      2  -0.204640D+02  0.428281D+01 -0.174026D+02  0.221836D+01 -0.147405D+01
      3  -0.112548D+02  0.686486D+01  0.301550D+01  0.205118D+02  0.701701D+01
                51            52            53            54            55 
      1   0.449456D+01  0.582306D+01  0.166218D+02 -0.324059D+01  0.455981D+01
      2   0.243052D+01 -0.265344D+02 -0.254153D+01 -0.750872D+01  0.160817D+02
      3   0.231059D+01  0.545423D+00  0.441683D+01 -0.141314D+01  0.685768D+01
                56            57            58            59            60 
      1   0.138599D+01 -0.235622D+01 -0.180646D+01 -0.244920D+01 -0.465707D+01
      2  -0.388358D+01  0.176704D+02 -0.105474D+02  0.599463D+01 -0.111284D+02
      3  -0.158741D+02  0.448396D-01 -0.953288D+01  0.169126D+02 -0.369978D+01
                61            62            63            64            65 
      1   0.851778D+00 -0.147780D+01  0.187637D+01  0.626000D+01 -0.399228D+01
      2   0.145612D+02 -0.486009D+01  0.133057D+02  0.104330D+02 -0.111878D+02
      3   0.672464D+00 -0.676179D+01  0.485388D+01  0.539972D+00 -0.198637D+02
                66            67            68            69            70 
      1  -0.810040D+01 -0.424230D+01  0.410001D+01 -0.421292D+01 -0.116078D+02
      2  -0.878027D+01 -0.103951D+02  0.123001D+00 -0.306712D+01 -0.175213D+02
      3   0.570307D+01 -0.920998D+01 -0.191207D+02  0.414230D+01  0.466368D+01
                71            72            73            74            75 
      1   0.235035D+01 -0.973106D+01  0.447179D+01 -0.379263D+01  0.404226D+01
      2   0.764674D+00 -0.120301D+02 -0.305693D+01  0.210601D+01 -0.964983D+01
      3   0.391545D+01  0.941269D+01  0.823612D+01 -0.173644D+02 -0.799979D+01
                76            77            78            79            80 
      1  -0.318153D+01 -0.328601D+01  0.262876D+00  0.740158D+01  0.605790D+01
      2   0.577926D+01  0.200704D+01 -0.551773D+01 -0.235298D+02 -0.857362D+01
      3  -0.103611D+02 -0.156353D+02  0.328107D+00 -0.874003D+01  0.105544D+01
                81            82            83            84            85 
      1  -0.180026D+01 -0.446567D+01  0.672403D+01 -0.292507D+01  0.908724D+01
      2   0.574490D+01  0.428979D+01 -0.334399D+01  0.279864D+01 -0.517787D+01
      3   0.152701D+01 -0.114295D+02  0.382279D+00  0.880171D+01  0.866029D+01
                86            87            88            89            90 
      1   0.998652D+01  0.173904D+01 -0.226299D+01  0.950238D+01 -0.145772D+01
      2  -0.420046D+01 -0.128847D+01 -0.104385D+01 -0.618499D+00  0.214535D+00
      3   0.575460D+01 -0.143876D+01  0.110119D+02 -0.907831D+00  0.734215D+01
                91            92            93            94            95 
      1   0.368467D+01 -0.269554D+01 -0.611943D+01  0.273286D+00  0.272270D+01
      2  -0.101406D+02 -0.172015D+00  0.905121D+01  0.296570D+00 -0.374777D+01
      3  -0.167696D+01 -0.196752D+02 -0.410267D+01 -0.109252D+02 -0.533981D+00
                96            97            98            99           100 
      1  -0.914065D+00  0.225787D+01  0.110610D+02 -0.730260D+01 -0.369674D+01
      2  -0.494966D+01 -0.149496D+01 -0.102592D+02  0.143947D+02  0.857531D+01
      3   0.508918D+01 -0.293819D+01  0.709394D+01  0.129063D+02  0.413657D+01
               101           102           103           104           105 
      1   0.398603D+00 -0.347270D+01 -0.865291D-01 -0.640951D+00 -0.144881D+01
      2   0.126477D+01  0.958352D+01  0.738328D+00  0.167793D+01  0.142872D+01
      3  -0.382968D+01  0.218828D+01 -0.278964D+00  0.102109D+01 -0.176487D+01
               106           107           108           109           110 
      1  -0.403816D+01  0.440624D+00 -0.409789D+01  0.227861D+01  0.901730D-01
      2   0.785246D+01  0.292143D+01  0.969204D+01 -0.393890D+01 -0.253003D+01
      3   0.388620D+01 -0.491570D+01  0.848809D+00  0.277218D+00 -0.225590D+01
               111           112           113           114           115 
      1  -0.299182D+01  0.187016D+01  0.103273D+01 -0.265283D+01 -0.468669D+01
      2   0.779458D+01 -0.222493D+01 -0.458805D+01  0.479175D+01  0.101370D+02
      3   0.351240D+00 -0.209892D+00 -0.301773D+01  0.282110D+01  0.462133D+00
               116           117           118           119           120 
      1   0.774101D+00  0.767018D+01 -0.196137D+01  0.157492D+01 -0.460585D+00
      2   0.646794D+01 -0.178740D+02 -0.320437D+01  0.136666D+01  0.117011D+01
      3   0.683202D+01 -0.172132D+01  0.778539D+00 -0.193038D+01  0.644358D+00
               121           122           123           124           125 
      1   0.232275D+01 -0.224238D+00  0.687703D+00  0.184220D+01  0.401777D+01
      2   0.494487D+01 -0.695046D+00 -0.670817D+00 -0.340719D+01 -0.986377D+00
      3   0.122367D+01 -0.100382D+00 -0.663915D+00  0.930761D+00 -0.152922D+01
               126           127           128           129           130 
      1  -0.302726D+01  0.306281D+01 -0.187032D+01  0.402067D+01 -0.172007D+01
      2   0.489100D+01 -0.247803D+01  0.950955D+00 -0.410644D+00  0.107810D+01
      3   0.125465D+01 -0.798757D+01  0.178593D+01 -0.482470D+01  0.377298D+01
               131           132           133           134           135 
      1   0.204757D+01 -0.415888D+01  0.298140D+01 -0.262609D+01  0.890558D+01
      2  -0.118658D+01  0.944353D+00 -0.332930D+01  0.208246D+01 -0.284104D+01
      3  -0.572493D+01  0.301766D+01 -0.744728D+01  0.439872D+01 -0.649539D+01
               136           137           138           139           140 
      1  -0.331514D+00 -0.644714D+00  0.356442D+00  0.181723D+00 -0.370890D+01
      2   0.842357D-01 -0.125379D+00  0.511318D+00 -0.803226D+00  0.343916D+01
      3  -0.116347D+01  0.908872D+00  0.513481D+00  0.447934D+01 -0.105906D+02
               141           142           143           144           145 
      1  -0.662206D+01  0.666866D+00 -0.411324D+01 -0.709149D+01  0.398348D+01
      2   0.257079D+01 -0.237160D+01  0.372530D+01  0.383923D+01 -0.786916D+01
      3  -0.470089D+01  0.251643D+01 -0.606230D+01 -0.594996D+01  0.855050D+01
               146           147           148           149           150 
      1   0.595809D+01 -0.123177D+01  0.537567D+01  0.945750D+01 -0.159170D+01
      2  -0.542052D+01 -0.138965D+01 -0.600001D+01 -0.840993D+01 -0.156766D+01
      3   0.585859D+01  0.142033D+01  0.920293D+01  0.108292D+02  0.262649D+01
               151           152           153           154           155 
      1  -0.844236D+00  0.740053D+00  0.132636D+01 -0.393496D+01  0.552637D+01
      2  -0.184882D+01 -0.959986D+00 -0.979146D+00 -0.880616D+01  0.384246D+01
      3  -0.681467D+00 -0.183297D+00  0.163387D+01 -0.336887D+00  0.407459D+00
               156           157           158           159           160 
      1  -0.217141D+01  0.487711D+01 -0.856480D+01  0.271843D+01 -0.240091D+01
      2  -0.384400D+01  0.592791D+01 -0.612403D+01  0.539864D+01 -0.533986D+01
      3   0.266904D-01  0.282811D+01 -0.132301D+01  0.107691D+01 -0.654225D+00
               161           162           163           164           165 
      1   0.491466D+01 -0.413279D+01 -0.934126D+00 -0.186596D+01  0.207625D+01
      2   0.382561D+01 -0.518203D+01  0.388167D+01  0.206717D+00  0.340794D+01
      3   0.251610D+00 -0.114939D+01 -0.219355D+01 -0.258165D+01  0.396858D+00
               166           167           168           169           170 
      1  -0.235637D+00  0.114515D+01  0.360644D+00  0.100798D+01  0.269730D+01
      2  -0.110944D+01 -0.155017D+01  0.128377D+00 -0.303241D+01  0.793504D-01
      3   0.552182D+00  0.195301D+01  0.139066D+01  0.165272D+01  0.172219D+01
               171           172           173           174           175 
      1  -0.284793D+01  0.285415D+01  0.113338D+01  0.440075D+01  0.795019D+00
      2  -0.322883D+01  0.305862D+01  0.715650D+00  0.681151D+01  0.108796D+01
      3  -0.807649D+00 -0.275166D+01 -0.729314D+00 -0.356796D+01  0.199581D+00
               176           177           178           179           180 
      1   0.250688D+01  0.202119D+01  0.537717D+01  0.419503D+01  0.124723D+02
      2   0.265707D+01  0.392759D+01  0.534413D+01  0.143791D+00  0.200625D+02
      3  -0.167440D+01 -0.355352D+01 -0.363358D+01 -0.541040D+01 -0.507155D+01
               181           182           183           184           185 
      1  -0.110538D+01 -0.628634D+00 -0.171792D+01 -0.402838D+00 -0.273124D+01
      2   0.139521D+01  0.328036D+01 -0.535715D+00  0.249821D+01  0.438067D+01
      3   0.988877D+01  0.135427D+02 -0.242746D+01  0.100545D+02  0.269286D+02
               186           187           188           189           190 
      1  -0.389282D+01  0.402354D+00 -0.297570D+00  0.139171D+01 -0.584327D+01
      2  -0.258312D+01 -0.621358D+00 -0.340172D+01  0.230514D+01 -0.101961D+02
      3  -0.439562D+01 -0.161352D+01 -0.341224D+01  0.328256D+01 -0.411044D+01
               191           192           193           194           195 
      1   0.232773D+01  0.506672D+01  0.267570D+01 -0.222340D+01 -0.217585D+01
      2   0.477014D+01  0.993548D+01  0.396972D+01 -0.332847D+01 -0.228758D+01
      3  -0.311109D+01  0.796494D+00 -0.234348D-01  0.422662D+01  0.532309D+00
               196           197           198           199           200 
      1   0.504582D+01 -0.903762D+00 -0.377242D+01  0.348089D+00 -0.110389D+01
      2   0.844171D+01 -0.342295D+01 -0.748321D+01 -0.346327D+00  0.119020D+01
      3   0.842249D+00  0.368668D+01 -0.137565D+01  0.107001D+00 -0.272007D+00
               201           202           203           204           205 
      1  -0.654670D+00 -0.222634D+01 -0.550419D+01 -0.178907D+01 -0.570261D+01
      2  -0.343474D+00  0.202832D+01  0.947250D+00  0.607190D+00 -0.318213D+01
      3   0.803061D-02  0.340147D+01 -0.302557D+01  0.297532D+00 -0.144577D+01
               206           207           208           209           210 
      1   0.225728D+01 -0.885748D+00  0.864681D+00  0.575415D-01 -0.167944D+00
      2   0.100832D+00  0.506343D+00  0.229315D+01 -0.251697D+00  0.367408D+00
      3   0.582391D+00 -0.782462D+00  0.302658D+01  0.927476D+00 -0.265196D+00
               211           212           213           214           215 
      1  -0.228967D+00  0.782892D+00 -0.355935D+01 -0.168102D+01  0.317933D+00
      2  -0.282247D+00  0.317266D+01 -0.212156D+01 -0.451875D+01 -0.179205D+01
      3   0.588212D+01  0.137641D+02 -0.249143D+01 -0.188205D+01 -0.315364D+01
               216           217           218           219           220 
      1   0.580063D+00 -0.120858D-01 -0.611733D+00  0.161768D+01 -0.128380D+01
      2   0.424157D+00 -0.148685D+01  0.103811D+01 -0.212681D+01  0.174375D+01
      3   0.177247D+01 -0.101790D+01  0.304785D+01 -0.191894D+01  0.161312D+01
               221           222           223           224           225 
      1   0.108919D+01 -0.270371D+01 -0.147516D+01 -0.320671D+01  0.128078D+02
      2  -0.366260D+01  0.472563D+01 -0.223014D+00  0.852522D+01 -0.242955D+02
      3  -0.520194D+01  0.387117D+01 -0.517413D+00  0.625928D+01 -0.872009D+01
               226           227           228           229           230 
      1  -0.232280D+01 -0.596237D+00 -0.225287D+01 -0.743623D+00 -0.709676D+00
      2   0.568102D+01  0.159348D+01  0.660632D+01  0.131049D+01  0.163715D+01
      3   0.475884D+01 -0.507109D+01  0.731544D+00  0.259223D+00 -0.837787D+00
               231           232           233           234           235 
      1  -0.148742D+01 -0.129760D+01 -0.130942D+00 -0.409297D+00 -0.101704D+01
      2   0.173098D+01  0.324721D+01  0.209937D+01  0.114290D+01  0.387315D+01
      3  -0.107009D+01  0.415455D+00 -0.210542D+01 -0.120068D+01 -0.686507D+01
               236           237           238           239           240 
      1   0.338994D+01  0.300561D+01  0.190175D+01 -0.464342D+01 -0.448114D+01
      2  -0.295296D+01 -0.326941D+01 -0.158385D+01  0.593559D+01  0.526756D+01
      3   0.111273D+02  0.491933D+01  0.747111D+01 -0.176518D+02 -0.676527D+01
               241           242           243 
      1   0.579232D+00 -0.444494D+01 -0.430582D+01
      2  -0.243184D+01  0.761095D+01  0.569980D+01
      3   0.385543D+01 -0.101575D+02 -0.932495D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.629643D+01  0.683988D+01  0.840642D+01  0.407366D+01  0.198033D+02
      2   0.556995D+01 -0.200016D+02 -0.124600D+02 -0.164745D+02 -0.114047D+02
      3  -0.118664D+02  0.131618D+02  0.405361D+01  0.124008D+02 -0.839865D+01
      4   0.829119D+01  0.622833D+01 -0.133719D+02  0.819980D+01 -0.306838D+01
      5   0.225900D+02 -0.135311D+02 -0.266946D+02 -0.136746D+02 -0.287824D+01
      6  -0.916228D+01 -0.739018D+01  0.121770D+02 -0.792053D+01 -0.658290D+01
                 6             7             8             9            10 
      1  -0.963401D+01  0.364539D+01 -0.115581D+02 -0.179402D+02 -0.652427D+00
      2  -0.468503D+00 -0.895564D+01  0.164356D+01  0.943284D+01 -0.163366D+01
      3   0.101025D+02  0.531024D+01  0.991454D+01  0.850737D+01  0.228609D+01
      4   0.801475D+01 -0.152713D+02  0.750932D+01  0.433605D+01 -0.157125D+02
      5   0.114456D+01 -0.260309D+02  0.634279D+01  0.843645D+01 -0.123482D+02
      6  -0.398202D+01  0.122345D+02 -0.369336D+01  0.569545D+01  0.798731D+01
                11            12            13            14            15 
      1  -0.102420D+02 -0.207419D+01 -0.230517D+01 -0.269684D+02  0.926572D+01
      2   0.131942D+02  0.144697D+01  0.394859D+01  0.123873D+02 -0.187898D+01
      3  -0.295221D+01  0.627223D+00 -0.164342D+01  0.145811D+02 -0.738674D+01
      4  -0.132733D+02  0.123926D+02 -0.198162D+02 -0.187325D+02 -0.770687D+01
      5   0.115969D+02  0.159287D+02  0.142387D+02 -0.250841D+01  0.606164D+01
      6  -0.762001D+01 -0.238460D+01 -0.273692D+01  0.109309D+02 -0.114176D+01
                16            17            18            19            20 
      1  -0.271297D+01  0.148964D+02  0.166169D+02  0.330821D+02  0.747353D+01
      2  -0.486947D+01 -0.453954D+01 -0.117631D+02 -0.153850D+02 -0.996520D+01
      3   0.758244D+01 -0.103569D+02 -0.485384D+01 -0.176971D+02  0.249168D+01
      4   0.182906D+02 -0.147014D+02  0.144532D+01  0.994156D+01 -0.724269D+01
      5   0.234820D+02  0.164147D+01  0.941951D+01 -0.582855D+01 -0.212633D+01
      6  -0.321169D+01 -0.104013D+01 -0.832046D+01 -0.707937D+01 -0.781240D+00
                21            22            23            24            25 
      1   0.505416D+01  0.459742D+01  0.223424D+01 -0.342926D+01  0.192140D+02
      2   0.224390D+01 -0.571979D+01 -0.599557D+01  0.119490D+01  0.742839D+01
      3  -0.729806D+01  0.112237D+01  0.376134D+01  0.223436D+01 -0.266424D+02
      4  -0.457862D+01 -0.713738D+01 -0.177246D+01  0.458711D+01 -0.117504D+02
      5  -0.753209D+01 -0.536994D+01  0.103853D+01  0.521650D+01 -0.168703D+02
      6   0.618043D+00 -0.201867D+01 -0.398809D+01  0.269763D+01 -0.163599D+01
                26            27            28            29            30 
      1  -0.905679D+01  0.117202D+02 -0.108805D+03  0.109222D+02 -0.127395D+02
      2   0.498303D+01  0.144553D+02  0.452399D+02 -0.590665D+01  0.453999D+01
      3   0.407376D+01 -0.261755D+02  0.635651D+02 -0.501550D+01  0.819946D+01
      4   0.106047D+02  0.222746D+01  0.186442D+02 -0.987895D+01  0.102058D+01
      5   0.530741D+01 -0.154861D+02 -0.131595D+01 -0.126448D+01 -0.104125D+02
      6   0.395058D+01  0.106243D+01  0.704264D+01  0.298537D+01  0.183332D+01
                31            32            33            34            35 
      1   0.439545D+02 -0.658614D+01  0.197936D+01 -0.399214D+02 -0.923227D+00
      2  -0.207860D+02  0.244010D+01  0.810844D+00  0.120429D+02  0.286799D+01
      3  -0.231685D+02  0.414604D+01 -0.279020D+01  0.278785D+02 -0.194477D+01
      4  -0.151152D+02 -0.322312D+01  0.104711D+01  0.745781D+01 -0.372779D+01
      5   0.655276D+01  0.239567D+01  0.265730D+01 -0.655067D+01  0.147153D-01
      6   0.151398D+01  0.893195D+01 -0.120284D+01  0.116799D+00  0.339357D+01
                36            37            38            39            40 
      1  -0.286750D+02  0.156908D+03 -0.257923D+02  0.278865D+02 -0.201024D+02
      2  -0.706112D+00 -0.680933D+02  0.111301D+02 -0.952294D+01  0.580611D+01
      3   0.293811D+02 -0.888145D+02  0.146622D+02 -0.183635D+02  0.142963D+02
      4   0.415018D+01 -0.486029D+02  0.140478D+02 -0.522485D+01  0.166474D+02
      5  -0.132816D+02  0.210501D+02 -0.144597D+01  0.200824D+02  0.353183D+01
      6   0.379675D+01 -0.867416D+01 -0.141129D+01 -0.305817D+01 -0.131647D+01
                41            42            43            44            45 
      1   0.123774D+02 -0.774595D+01  0.377417D+02 -0.967174D+01  0.784167D+01
      2  -0.111333D+02  0.229048D+01 -0.166753D+02  0.737123D+01 -0.753047D+01
      3  -0.124408D+01  0.545547D+01 -0.210665D+02  0.230052D+01 -0.311202D+00
      4   0.126133D+02 -0.503338D+01 -0.707192D+01 -0.616742D+01 -0.577774D+01
      5  -0.688644D+01 -0.300303D+01  0.277650D+02 -0.594647D+01  0.625927D+01
      6   0.416273D+01  0.473462D+01 -0.831166D+01  0.630390D+01  0.825569D+00
                46            47            48            49            50 
      1  -0.138815D+03  0.400314D+02 -0.240523D+02  0.425268D+02 -0.248902D+02
      2   0.621210D+02 -0.188929D+02  0.132565D+02 -0.277639D+02  0.498330D+01
      3   0.766939D+02 -0.211384D+02  0.107958D+02 -0.147629D+02  0.199069D+02
      4   0.687020D+02 -0.304050D+02  0.152835D+02 -0.393384D+02 -0.150022D+02
      5  -0.382313D+02  0.113759D+02 -0.224339D+02  0.205078D+02 -0.916178D+00
      6   0.152285D+02 -0.589492D+01  0.137100D+01  0.455008D+00  0.433358D+01
                51            52            53            54            55 
      1   0.125637D+02 -0.445242D+02  0.137385D+02 -0.149706D+02  0.151754D+03
      2  -0.103745D+02  0.210929D+02 -0.374546D+01  0.331070D+01 -0.737641D+02
      3  -0.218924D+01  0.234314D+02 -0.999306D+01  0.116599D+02 -0.779897D+02
      4  -0.860365D+00  0.288325D+02 -0.159449D+01  0.721761D+01 -0.671902D+02
      5   0.248612D+01 -0.902064D+01  0.520259D+01 -0.111607D+02  0.334912D+02
      6  -0.674817D+01  0.329031D+00  0.216636D+01  0.425791D+01 -0.778069D+01
                56            57            58            59            60 
      1  -0.415947D+02  0.244387D+02 -0.838484D+02  0.310598D+02 -0.125853D+02
      2   0.161059D+02 -0.150074D+02  0.334907D+02 -0.339488D+01  0.734967D+01
      3   0.254888D+02 -0.943131D+01  0.503578D+02 -0.276650D+02  0.523567D+01
      4   0.393969D+02 -0.117920D+02  0.690398D+02 -0.476174D+02  0.146787D+02
      5  -0.990003D+01  0.283179D+02 -0.216179D+02  0.123083D+02 -0.152828D+02
      6   0.397494D+01 -0.543260D+01  0.847407D+01 -0.604614D+01  0.115211D+02
                61            62            63            64            65 
      1   0.414981D+02 -0.701951D+01  0.244966D+02 -0.262830D+02  0.299986D+02
      2  -0.242286D+02  0.478541D+01 -0.187157D+02  0.793092D+01 -0.267927D+02
      3  -0.172695D+02  0.223410D+01 -0.578090D+01  0.183521D+02 -0.320598D+01
      4  -0.193098D+02  0.100929D+02 -0.211398D+02  0.244413D+02  0.667982D+01
      5   0.462485D+02 -0.199231D+02  0.295464D+02  0.150288D+02 -0.159893D+02
      6  -0.902253D+01  0.107369D+02 -0.796749D+01 -0.103451D+02  0.151206D+02
                66            67            68            69            70 
      1   0.109024D+02  0.219463D+02  0.300579D+02 -0.190090D+02  0.184276D+02
      2   0.566923D+01 -0.180284D+02 -0.267514D+02  0.118918D+02  0.479526D+01
      3  -0.165716D+02 -0.391794D+01 -0.330652D+01  0.711721D+01 -0.232228D+02
      4  -0.208988D+02  0.857728D+01  0.144597D+01  0.104143D+02 -0.265038D+02
      5  -0.183551D+02 -0.179971D+02  0.817086D+01 -0.113447D+02 -0.251845D+02
      6   0.651203D+01  0.128211D+02  0.288798D+00  0.329050D+01  0.880680D+01
                71            72            73            74            75 
      1  -0.215433D+02 -0.234091D+02 -0.144052D+01 -0.139256D+02 -0.214637D+02
      2   0.114819D+02  0.246195D+02  0.183014D+00  0.108451D+02  0.128791D+02
      3   0.100614D+02 -0.121046D+01  0.125750D+01  0.308054D+01  0.858459D+01
      4   0.146098D+02  0.268857D+01 -0.127230D+02  0.533789D+01 -0.119505D+01
      5  -0.463296D+01 -0.292813D+02 -0.106688D+02  0.340164D+01 -0.234189D+02
      6   0.332420D+01  0.715295D+01 -0.408150D+01  0.695557D+01 -0.763730D+01
                76            77            78            79            80 
      1  -0.173544D+02  0.174207D+02  0.767418D+01 -0.231603D+02  0.209489D+01
      2   0.174162D+02 -0.219593D+01 -0.551321D+01  0.135031D+02 -0.168950D+01
      3  -0.617830D-01 -0.152247D+02 -0.216097D+01  0.965720D+01 -0.405385D+00
      4   0.130746D+02  0.358376D+02  0.467076D+01  0.452528D+01  0.975082D+01
      5   0.108282D+02 -0.173793D+01 -0.118444D+02 -0.382960D+02 -0.162042D+02
      6   0.357856D+01 -0.740578D+00 -0.482395D+01 -0.139679D+02 -0.590386D+01
                81            82            83            84            85 
      1  -0.246299D+02 -0.197114D+02 -0.228862D+00  0.151481D+02  0.209494D+01
      2   0.167715D+02  0.173829D+02  0.628747D+01 -0.147080D+02  0.252615D+01
      3   0.785843D+01  0.232848D+01 -0.605860D+01 -0.440103D+00 -0.462110D+01
      4  -0.215379D+02  0.591566D+00  0.992943D+01  0.267230D+01  0.987420D+01
      5   0.112019D+02  0.694852D+01 -0.295560D+01  0.167589D+01 -0.612666D+01
      6   0.889690D+01  0.101323D+02 -0.670508D+01  0.322496D+01 -0.406629D+01
                86            87            88            89            90 
      1   0.111327D+02  0.517157D+01  0.181543D+02  0.115072D+02  0.158916D+02
      2  -0.626407D+01 -0.929066D+01 -0.171566D+02 -0.180449D+02 -0.179062D+02
      3  -0.486864D+01  0.411909D+01 -0.997642D+00  0.653767D+01  0.201453D+01
      4  -0.347085D+01 -0.131676D+02  0.960169D+00 -0.190119D+02 -0.277554D+01
      5  -0.674734D+01 -0.344781D+01  0.408887D+01 -0.548424D+01 -0.611598D+00
      6  -0.178410D+02 -0.150215D+02  0.396517D+01 -0.207676D+02 -0.319788D+01
                91            92            93            94            95 
      1  -0.586105D+02 -0.299270D+02 -0.150838D+02 -0.118495D+02  0.200073D+02
      2   0.247415D+02  0.232406D+02  0.114482D+02  0.139483D+02 -0.450623D+01
      3   0.338690D+02  0.668649D+01  0.363558D+01 -0.209887D+01 -0.155011D+02
      4  -0.263617D+02  0.144399D+02 -0.505428D+01  0.223720D+02  0.182632D+02
      5  -0.131647D+02 -0.195855D+01  0.128612D+02 -0.259019D+01 -0.930149D+01
      6  -0.658156D+01  0.186053D+01  0.800636D+01 -0.562658D+00 -0.897078D+01
                96            97            98            99           100 
      1   0.298512D+01 -0.221934D+02  0.439281D+00  0.214760D+02  0.528245D+02
      2  -0.754914D+01  0.121496D+02 -0.102317D+02 -0.894458D+01 -0.273151D+02
      3   0.456402D+01  0.100438D+02  0.979247D+01 -0.125314D+02 -0.255094D+02
      4  -0.747482D+01 -0.745442D+01 -0.724179D+01 -0.128951D+02  0.235931D+02
      5  -0.994516D+01  0.546676D+01 -0.155547D+02  0.260394D+02  0.240545D+02
      6  -0.387545D+01  0.332205D+01 -0.111839D+02  0.135285D+02  0.576633D+01
               101           102           103           104           105 
      1   0.962029D+01  0.200120D+02  0.336335D+01  0.504503D+01 -0.509973D+00
      2  -0.301050D+01 -0.110363D+02  0.198687D+00 -0.154386D+01  0.170312D+01
      3  -0.660979D+01 -0.897575D+01 -0.356203D+01 -0.350117D+01 -0.119315D+01
      4   0.130716D+02  0.801560D+01  0.112178D+02  0.422889D+01  0.563806D+01
      5   0.381760D+01  0.192584D+02  0.156731D+01  0.581792D+01  0.303640D+01
      6   0.192692D+01  0.548547D+01  0.245611D+01  0.255960D+01  0.406536D+01
               106           107           108           109           110 
      1   0.315324D+02  0.319955D+01  0.176456D+02  0.230260D+02  0.865535D+01
      2  -0.180669D+02  0.509308D+00 -0.133779D+02 -0.131063D+02 -0.404486D+01
      3  -0.134654D+02 -0.370886D+01 -0.426767D+01 -0.991975D+01 -0.461049D+01
      4   0.140415D+02  0.106402D+02  0.121851D+02  0.181334D+02  0.108662D+02
      5   0.268202D+02  0.763629D+01  0.213426D+02 -0.175455D+02 -0.743141D+01
      6   0.777071D+01  0.481721D+01  0.639930D+01 -0.764521D+01 -0.458773D+01
               111           112           113           114           115 
      1  -0.865968D+01  0.683255D+01 -0.716132D+00 -0.123530D+01 -0.163044D+02
      2   0.586962D+01 -0.217608D+01  0.383580D+01 -0.874630D+00  0.122336D+02
      3   0.279006D+01 -0.465647D+01 -0.311967D+01  0.210993D+01  0.407079D+01
      4  -0.945890D+01  0.138513D+02  0.109736D+02 -0.116365D+02 -0.196245D+02
      5   0.186154D+02 -0.824764D+01 -0.102107D+02  0.970195D+01  0.323498D+02
      6   0.656793D+01 -0.656957D+01 -0.738654D+01  0.893635D+01  0.137521D+02
               116           117           118           119           120 
      1  -0.250497D+01  0.922137D+01 -0.816558D+00  0.198328D+00 -0.129031D+01
      2  -0.137141D+00 -0.143091D+02 -0.592780D+01  0.108180D+01 -0.430014D+01
      3   0.264211D+01  0.508770D+01  0.674435D+01 -0.128013D+01  0.559045D+01
      4  -0.186770D+02  0.199433D+02 -0.503443D+00  0.415877D+01  0.439930D+00
      5   0.154919D+02 -0.375374D+02  0.827522D+01 -0.960981D+00  0.121643D+02
      6   0.118033D+02 -0.180469D+02  0.217495D+00  0.130820D+01  0.676082D-01
               121           122           123           124           125 
      1   0.550565D+01 -0.469303D+01  0.272707D+01 -0.844997D+01  0.977601D+00
      2  -0.130904D+01 -0.476974D+00  0.126029D+01 -0.566251D+01  0.314536D+01
      3  -0.419661D+01  0.517000D+01 -0.398735D+01  0.141125D+02 -0.412296D+01
      4   0.386966D+01  0.279951D+00  0.315778D+01  0.125401D+01  0.347608D+01
      5  -0.138118D+01  0.326026D+01 -0.232621D+01  0.164668D+02 -0.292857D+01
      6   0.175256D+01 -0.164153D+01  0.702116D+01  0.148136D+01  0.467759D+01
               126           127           128           129           130 
      1  -0.243582D+02 -0.353547D+01  0.731173D+01 -0.546067D+01  0.474443D+01
      2  -0.195248D+02  0.334461D+01 -0.952791D+01  0.510592D+01 -0.573371D+01
      3   0.438830D+02  0.190864D+00  0.221618D+01  0.354757D+00  0.989279D+00
      4  -0.773145D+00 -0.515270D+01  0.721797D+00 -0.247378D+01  0.200562D+01
      5   0.238212D+02 -0.461979D+00  0.651318D+00 -0.635781D+00  0.453929D+00
      6   0.579161D+00 -0.610845D+01  0.396595D+01 -0.569212D+01  0.280323D+01
               131           132           133           134           135 
      1  -0.134135D+02  0.532443D+01 -0.902640D+01  0.933460D+01 -0.141720D+02
      2   0.159767D+02 -0.541295D+01  0.631925D+01 -0.105323D+02  0.975841D+01
      3  -0.256327D+01  0.885184D-01  0.270715D+01  0.119767D+01  0.441356D+01
      4   0.243470D+00  0.827604D+00 -0.486681D+01 -0.469816D+00 -0.934557D+00
      5  -0.919555D+00  0.163693D+01 -0.368881D+00  0.266287D+01 -0.425118D+01
      6  -0.517133D+01  0.903882D+01 -0.502577D+01  0.118310D+02 -0.132965D+02
               136           137           138           139           140 
      1  -0.945202D+00  0.371514D+01  0.669200D+00  0.210078D+01 -0.316257D+02
      2   0.261925D+01 -0.199553D+01  0.443736D+00  0.432600D+00  0.423341D+02
      3  -0.167405D+01 -0.171960D+01 -0.111294D+01 -0.253338D+01 -0.107085D+02
      4   0.533903D+01  0.816877D+01  0.353479D+01  0.800911D+01  0.211413D+02
      5   0.113539D+01  0.322561D+01  0.386553D+01  0.254235D+01  0.923984D+01
      6   0.372455D+01  0.102252D+01 -0.224697D+00  0.170978D+01  0.273430D+02
               141           142           143           144           145 
      1  -0.151757D+02 -0.201590D-01 -0.218317D+02 -0.187236D+02 -0.840236D+01
      2   0.170235D+02  0.221508D+01  0.231367D+02  0.134037D+02  0.730724D+01
      3  -0.184782D+01 -0.219492D+01 -0.130499D+01  0.531986D+01  0.109512D+01
      4   0.995553D+01  0.527592D+01  0.149638D+02  0.946806D+01  0.256987D+01
      5   0.611976D+01  0.333711D+01  0.993974D+01  0.875913D+01  0.358827D+01
      6   0.194794D+02  0.848467D+00  0.260074D+02  0.223423D+02  0.670346D+01
               146           147           148           149           150 
      1  -0.108258D+02 -0.632142D+01 -0.858483D+01 -0.221554D+02 -0.668044D+01
      2   0.122001D+02  0.191422D+01  0.106521D+02  0.256045D+02  0.204582D+01
      3  -0.137429D+01  0.440721D+01 -0.206729D+01 -0.344910D+01  0.463462D+01
      4   0.316336D+00  0.134782D+01  0.229682D+01 -0.628876D+01 -0.238288D+01
      5   0.493666D+01  0.290065D+01  0.652257D+01  0.288323D+01 -0.196344D+01
      6   0.981697D+01  0.368715D+01  0.717968D+01  0.183015D+02  0.928901D+01
               151           152           153           154           155 
      1  -0.154843D+01 -0.135210D+01 -0.292490D+01 -0.690229D+01  0.280329D+01
      2  -0.323599D+00 -0.176117D+01  0.131602D+01 -0.181706D+01  0.304698D+01
      3   0.187203D+01  0.311327D+01  0.160887D+01  0.871935D+01 -0.585027D+01
      4   0.152727D+01  0.257733D+00 -0.617481D+00  0.282005D+01 -0.293064D+01
      5   0.314056D+01 -0.728243D+00  0.347770D-02  0.199537D+01 -0.820031D+00
      6   0.161200D+01  0.557654D+01  0.254730D+01 -0.239639D+01  0.557814D+01
               156           157           158           159           160 
      1  -0.881201D+01  0.435335D+01 -0.960457D+01  0.100881D+02 -0.468505D+01
      2  -0.197743D+01  0.163982D+01  0.157838D+01  0.441308D+01 -0.168424D+01
      3   0.107894D+02 -0.599316D+01  0.802620D+01 -0.145012D+02  0.636929D+01
      4   0.322301D+01 -0.327801D+01  0.758066D+01 -0.453293D+01  0.315102D+01
      5   0.369882D+01 -0.184941D+01  0.551245D+00  0.355341D+01  0.539934D+01
      6  -0.290287D+01  0.448214D+01 -0.918761D+01  0.608442D+01 -0.340446D+01
               161           162           163           164           165 
      1   0.624588D+01 -0.105422D+02  0.170864D+02 -0.196293D+01 -0.407009D+01
      2   0.266575D+01 -0.692753D+01 -0.182443D+02  0.346549D+01  0.157324D+02
      3  -0.891163D+01  0.174697D+02  0.115785D+01 -0.150256D+01 -0.116623D+02
      4  -0.330336D+01  0.371966D+01 -0.138265D+02  0.100427D+02  0.104046D+02
      5  -0.178248D+00 -0.213504D+01 -0.341915D+02  0.109553D+02  0.316326D+02
      6   0.645820D+01 -0.482967D+01  0.888780D+01 -0.745337D+01 -0.100674D+02
               166           167           168           169           170 
      1  -0.109420D+01 -0.180758D+01 -0.122323D+01 -0.363155D+01 -0.102743D+01
      2   0.197187D+01  0.282145D+00 -0.623642D+00  0.129877D+02 -0.211430D+01
      3  -0.877671D+00  0.152544D+01  0.184687D+01 -0.935611D+01  0.314172D+01
      4   0.789703D+01 -0.629336D+01 -0.761167D+01  0.854828D+01 -0.654875D+01
      5   0.684973D+01 -0.783652D+01 -0.643306D+01  0.255814D+02 -0.892484D+01
      6  -0.530315D+01  0.648185D+01  0.841491D+01 -0.805651D+01  0.785632D+01
               171           172           173           174           175 
      1  -0.287786D+01  0.166010D+02 -0.245137D+01  0.100580D+02  0.452066D+01
      2  -0.173821D+02 -0.122334D+02  0.127801D+01 -0.111845D+02 -0.331378D+01
      3   0.202600D+02 -0.436759D+01  0.117336D+01  0.112650D+01 -0.120687D+01
      4  -0.895997D+01 -0.625126D+01  0.340888D+01 -0.144559D+01  0.108485D+01
      5  -0.306368D+02  0.151547D+02  0.108471D+01  0.199045D+02  0.618353D+01
      6   0.113332D+02 -0.334962D+01  0.694956D-01 -0.588305D+01 -0.372065D+00
               176           177           178           179           180 
      1  -0.196210D+01  0.486507D+01  0.130691D+02  0.276583D+01  0.876512D+01
      2  -0.135972D+00 -0.734063D+01 -0.144807D+02 -0.501368D+01 -0.249657D+02
      3   0.209807D+01  0.247556D+01  0.141161D+01  0.224785D+01  0.162006D+02
      4   0.372596D+01  0.459826D+01 -0.470077D+01  0.844571D+01 -0.503368D+01
      5   0.512501D+01  0.880863D+01  0.270019D+02 -0.922386D+00  0.475693D+02
      6   0.867477D-02  0.196114D+01 -0.832255D+01  0.535086D+01 -0.169977D+02
               181           182           183           184           185 
      1  -0.922538D+01 -0.213176D+02  0.229795D+01 -0.152768D+02 -0.353510D+02
      2   0.971811D+01  0.232195D+02 -0.255925D+01  0.119045D+02  0.480154D+02
      3  -0.492731D+00 -0.190189D+01  0.261301D+00  0.337233D+01 -0.126645D+02
      4   0.188241D+00 -0.655542D+01  0.330786D+01  0.478240D+01 -0.274796D+02
      5  -0.312545D+01  0.152421D+01 -0.702606D+00 -0.860537D+00  0.230282D+01
      6  -0.134593D+01 -0.654183D+01  0.444858D+01 -0.292749D+01 -0.125028D+02
               186           187           188           189           190 
      1   0.685159D+01 -0.240802D+00  0.689068D+01 -0.392129D+01  0.627533D+02
      2  -0.623951D+01 -0.139936D+01 -0.496704D+01  0.312062D+01 -0.244827D+02
      3  -0.612088D+00  0.164017D+01 -0.192364D+01  0.800665D+00 -0.382706D+02
      4   0.349890D+01  0.234219D+01  0.133168D+01 -0.378475D+01 -0.415808D+02
      5  -0.401500D+01  0.307105D+01 -0.395282D+01  0.444182D+01 -0.147640D+02
      6   0.868982D+01  0.970975D+00  0.861739D+01 -0.443618D+01  0.736698D+01
               191           192           193           194           195 
      1  -0.203289D+02 -0.150792D+02 -0.124577D+02  0.555789D+01  0.405912D+01
      2   0.415179D+01  0.488163D+01  0.410123D+00  0.505122D+01  0.654239D-01
      3   0.161771D+02  0.101975D+02  0.120476D+02 -0.106091D+02 -0.412455D+01
      4   0.240965D+02  0.106789D+02  0.203511D+02 -0.170970D+02 -0.724841D+01
      5   0.590316D+01  0.151984D+02  0.478816D+01 -0.529011D+01 -0.238770D+01
      6  -0.401108D+01 -0.728340D+01 -0.389709D+01  0.223041D+01  0.350273D+01
               196           197           198           199           200 
      1  -0.272574D+02  0.893397D+01  0.134723D+02 -0.807097D+00  0.151410D+01
      2   0.935295D+01 -0.619347D-01 -0.796049D+01 -0.164609D+00 -0.163075D+00
      3   0.179045D+02 -0.887203D+01 -0.551181D+01  0.971706D+00 -0.135102D+01
      4   0.217442D+02 -0.167894D+02 -0.103208D+02  0.336709D+01  0.513421D+01
      5   0.187436D+02 -0.677925D+01 -0.126323D+02 -0.120135D+01 -0.199764D+01
      6  -0.880808D+01  0.477268D+01  0.698199D+01 -0.246854D+01 -0.802428D+00
               201           202           203           204           205 
      1  -0.132577D+01  0.188814D+01 -0.132438D+02  0.570055D+01 -0.105731D+01
      2   0.515409D+00 -0.499147D+00  0.134199D+02 -0.246162D+01  0.254192D+01
      3   0.810358D+00 -0.138900D+01 -0.176149D+00 -0.323893D+01 -0.148461D+01
      4  -0.122676D+01  0.540692D+01  0.921782D+01 -0.301111D+01 -0.140344D+01
      5   0.134956D+01 -0.248240D+01 -0.386437D+01  0.253911D+01  0.183663D+01
      6   0.555787D+00 -0.773167D+00 -0.112651D+02  0.660366D+01  0.224201D+01
               206           207           208           209           210 
      1   0.469078D+01 -0.154577D+01 -0.407390D+00 -0.206773D+01  0.631304D+00
      2  -0.244433D+01  0.920680D+00  0.246054D+01  0.147355D+01 -0.291636D+00
      3  -0.224645D+01  0.625094D+00 -0.205315D+01  0.594176D+00 -0.339668D+00
      4  -0.139886D+01  0.543207D+00 -0.175217D+01  0.476405D+01 -0.967019D+00
      5   0.173732D+01 -0.258826D+00  0.104668D+01 -0.441345D+00  0.743155D+00
      6   0.481830D+01 -0.366744D+01 -0.662715D+00  0.968228D+00  0.307713D-01
               211           212           213           214           215 
      1  -0.486289D+01 -0.208113D+02  0.322538D+01  0.241690D+01  0.502634D+01
      2   0.245605D+01  0.267984D+02 -0.307665D+01 -0.281230D+00 -0.521582D+01
      3   0.240684D+01 -0.598711D+01 -0.148733D+00 -0.213567D+01  0.189485D+00
      4   0.298366D+01 -0.198195D+02  0.302156D+01 -0.149645D+01  0.517300D+01
      5  -0.495736D+00  0.238100D+01 -0.237775D+01 -0.105640D+01 -0.216611D+01
      6   0.492385D+00 -0.173769D+01  0.470445D+01  0.172963D+01  0.363768D+01
               216           217           218           219           220 
      1  -0.407177D+01  0.512155D+01  0.681505D+01 -0.637943D+01  0.507067D+01
      2   0.311663D+01 -0.370075D+01 -0.512245D+01  0.219738D+01 -0.272703D+01
      3   0.955143D+00 -0.142079D+01 -0.169261D+01  0.418205D+01 -0.234363D+01
      4  -0.259357D+01  0.286451D+01 -0.294686D+01 -0.115747D+01  0.209810D+01
      5   0.163665D+01 -0.328816D+01  0.326869D+00 -0.510116D+00 -0.228959D+00
      6  -0.237439D+01 -0.245895D+01  0.121286D+01 -0.277656D+01 -0.840455D+00
               221           222           223           224           225 
      1  -0.843844D+01  0.503282D+01 -0.859252D+01  0.506325D+01 -0.174533D+02
      2   0.658813D+01 -0.392166D+01  0.431600D+01 -0.287077D+01 -0.379456D+01
      3   0.185031D+01 -0.111116D+01  0.427652D+01 -0.219247D+01  0.212479D+02
      4   0.779703D+01 -0.649945D+01 -0.926352D+01 -0.153119D+02  0.137846D+02
      5  -0.700052D+01  0.900789D+01  0.857567D+01  0.159293D+02 -0.447831D+02
      6  -0.574160D+01  0.987176D+01  0.283202D+01  0.135204D+02 -0.241887D+02
               226           227           228           229           230 
      1   0.888729D+02  0.211149D+02  0.633039D+01  0.919141D+01  0.861672D+01
      2  -0.403201D+02 -0.577106D+01 -0.286880D+01 -0.187580D+00 -0.646592D+00
      3  -0.485528D+02 -0.153438D+02 -0.346159D+01 -0.900382D+01 -0.797013D+01
      4   0.443001D+02  0.232386D+02  0.343765D+01  0.162552D+02  0.990163D+01
      5   0.342808D+01  0.112836D+01  0.123286D+02  0.103373D+01  0.233658D+01
      6   0.304598D+01  0.573961D+00  0.424905D+01  0.187015D+00  0.128076D+01
               231           232           233           234           235 
      1   0.480479D+00  0.122747D+02  0.276954D+01  0.757948D+01 -0.644777D+01
      2   0.100642D+01 -0.588862D+01  0.390648D+00 -0.452853D+01  0.630985D+01
      3  -0.148690D+01 -0.638610D+01 -0.316019D+01 -0.305094D+01  0.137917D+00
      4   0.280984D+01  0.723215D+01  0.559179D+01  0.684973D+01 -0.244043D+00
      5   0.268680D+01  0.124281D+02  0.540203D+01  0.236150D+01  0.486646D+01
      6   0.244819D+01  0.408111D+01  0.340055D+01  0.670968D+00  0.403708D+01
               236           237           238           239           240 
      1   0.154991D+02  0.966729D+01  0.150477D+02 -0.222262D+02 -0.874908D+01
      2  -0.154500D+02 -0.657300D+01 -0.102350D+02  0.275146D+02  0.993684D+01
      3  -0.490631D-01 -0.309429D+01 -0.481272D+01 -0.528840D+01 -0.118776D+01
      4  -0.904518D+01  0.602699D-01  0.167967D+01  0.205007D+02  0.676362D+01
      5  -0.213102D+01 -0.572824D+01 -0.267822D+01  0.828658D+01  0.971409D+01
      6  -0.414106D+01 -0.549229D+01 -0.208324D+01  0.892438D+01  0.854287D+01
               241           242           243 
      1   0.110070D+02 -0.100684D+02 -0.139126D+02
      2  -0.565111D+01  0.124057D+02  0.870944D+01
      3  -0.535593D+01 -0.233727D+01  0.520317D+01
      4   0.353411D+01  0.124962D+02  0.858531D+01
      5  -0.153612D+01  0.109037D+02  0.773503D+01
      6  -0.244165D+01  0.113384D+02  0.822712D+01
 Leave Link  716 at Thu Aug 12 23:28:39 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.166889D+03 -0.611402D+01  0.651786D+01
      2  -0.611402D+01  0.121770D+03 -0.302552D+01
      3   0.651786D+01 -0.302552D+01  0.104102D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.264939D+01 -0.187582D+01 -0.112836D+02
      2   0.408952D+02 -0.142312D+02 -0.367187D+02
      3   0.360114D+00  0.214020D+02  0.121227D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.512285D+02 -0.177819D+02  0.363790D+02
      2  -0.881859D+01  0.192558D+02 -0.178396D+02
      3  -0.424099D+02 -0.147386D+01 -0.185394D+02
      4   0.905927D+00 -0.373708D+02 -0.340526D+02
      5   0.319696D+02 -0.321948D+02 -0.914053D+02
      6  -0.106554D+02 -0.478869D+01  0.263417D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.311593D+01 -0.203603D+01 -0.412931D+01 -0.138321D+01 -0.393570D+01
      2  -0.203603D+01 -0.379065D+01  0.221442D+01 -0.393570D+01 -0.186589D+01
      3  -0.412931D+01  0.221442D+01  0.363674D+01  0.228620D+01 -0.195150D+01
                 6             7             8             9            10 
      1   0.228620D+01 -0.354676D+01  0.274225D+01  0.344751D+01 -0.198120D+02
      2  -0.195150D+01  0.274225D+01 -0.131043D+01  0.778018D+00  0.438254D+01
      3   0.156443D+01  0.344751D+01  0.778018D+00  0.843800D+00  0.319293D+01
                11            12            13            14            15 
      1   0.438254D+01  0.319293D+01  0.109318D+02  0.203088D+01 -0.264261D+01
      2   0.270421D+01 -0.224699D+01  0.203088D+01  0.462365D+01  0.145398D+01
      3  -0.224699D+01 -0.350632D+01 -0.264261D+01  0.145398D+01 -0.936319D+00
                16            17            18            19            20 
      1   0.126824D+02 -0.389312D+01 -0.535189D+01  0.334519D+02 -0.506556D+01
      2  -0.389312D+01  0.259599D+01 -0.349278D+00 -0.506556D+01  0.281014D+01
      3  -0.535189D+01 -0.349278D+00 -0.282011D+01  0.604489D+00  0.861085D+00
                21            22            23            24            25 
      1   0.604489D+00 -0.933605D+01  0.338275D+01  0.188752D+01 -0.464623D+01
      2   0.861085D+00  0.338275D+01  0.187123D+01 -0.187252D+01  0.214586D+01
      3   0.296681D+01  0.188752D+01 -0.187252D+01 -0.225455D+01  0.647687D+01
                26            27            28            29            30 
      1   0.214586D+01  0.647687D+01 -0.494579D+02  0.578918D+01 -0.463644D+01
      2  -0.283841D+01 -0.191956D+01  0.578918D+01 -0.249209D+01 -0.129316D+00
      3  -0.191956D+01  0.540151D+01 -0.463644D+01 -0.129316D+00 -0.282921D+01
                31            32            33            34            35 
      1   0.144776D+02 -0.466219D+01  0.102847D+01 -0.136950D+02  0.491756D+00
      2  -0.466219D+01 -0.218038D+01  0.128844D+01  0.491756D+00  0.107115D+01
      3   0.102847D+01  0.128844D+01  0.185051D+01 -0.644326D+01  0.996699D+00
                36            37            38            39            40 
      1  -0.644326D+01  0.496199D+02 -0.777855D+01  0.661525D+01 -0.111331D+02
      2   0.996699D+00 -0.777855D+01  0.111937D+01 -0.417288D+00  0.381754D+01
      3  -0.500627D+01  0.661525D+01 -0.417288D+00  0.284701D+01 -0.438812D+00
                41            42            43            44            45 
      1   0.381754D+01 -0.438812D+00  0.142904D+02 -0.126940D+01  0.574864D+01
      2   0.278803D+01 -0.169820D+01 -0.126940D+01 -0.180229D+01 -0.125510D+01
      3  -0.169820D+01 -0.215426D+01  0.574864D+01 -0.125510D+01  0.277178D+01
                46            47            48            49            50 
      1  -0.351616D+02  0.780556D+01 -0.707072D+01  0.629943D+01 -0.411057D+01
      2   0.780556D+01 -0.114441D+01  0.193053D+01 -0.411057D+01 -0.239316D+01
      3  -0.707072D+01  0.193053D+01 -0.587179D+00  0.250550D+01  0.458789D-01
                51            52            53            54            55 
      1   0.250550D+01 -0.913085D+01  0.299240D+01 -0.199847D+01  0.285674D+02
      2   0.458789D-01  0.299240D+01  0.514217D+00  0.822744D+00 -0.688166D+01
      3   0.867527D+00 -0.199847D+01  0.822744D+00 -0.718495D+00  0.518178D+01
                56            57            58            59            60 
      1  -0.688166D+01  0.518178D+01 -0.191536D+02  0.719536D+01 -0.367417D+01
      2   0.262654D+01 -0.129148D+01  0.719536D+01 -0.522779D+01  0.184345D+01
      3  -0.129148D+01  0.178176D+01 -0.367417D+01  0.184345D+01 -0.165387D+01
                61            62            63            64            65 
      1   0.987479D+01 -0.201414D+01  0.574424D+01  0.591353D+01 -0.281262D+01
      2  -0.201414D+01  0.838115D+00 -0.263087D+01 -0.281262D+01 -0.333951D+01
      3   0.574424D+01 -0.263087D+01  0.347176D+01 -0.225110D+01  0.279060D+01
                66            67            68            69            70 
      1  -0.225110D+01 -0.209472D+01 -0.276601D+01  0.308098D+01 -0.422423D+01
      2   0.279060D+01 -0.276601D+01 -0.332140D+01 -0.505010D+00  0.312160D+01
      3   0.285425D+01  0.308098D+01 -0.505010D+00  0.178000D+01  0.396046D+01
                71            72            73            74            75 
      1   0.312160D+01  0.396046D+01  0.252901D+01  0.209579D+01  0.163139D+01
      2  -0.106796D+01  0.682177D+00  0.209579D+01 -0.254849D+01 -0.902467D+00
      3   0.682177D+00  0.449492D+01  0.163139D+01 -0.902467D+00  0.314512D+01
                76            77            78            79            80 
      1   0.313217D+01 -0.303613D+01 -0.192403D+01 -0.642523D-01 -0.131084D+01
      2  -0.303613D+01 -0.581437D+01 -0.406632D+00 -0.131084D+01 -0.102249D+01
      3  -0.192403D+01 -0.406632D+00  0.143825D+01  0.524606D+01  0.217862D+01
                81            82            83            84            85 
      1   0.524606D+01  0.312233D+01 -0.243060D+01 -0.220291D+01 -0.307808D+01
      2   0.217862D+01 -0.243060D+01 -0.162217D+01  0.180458D+01 -0.229500D+01
      3  -0.143115D+01 -0.220291D+01  0.180458D+01 -0.908682D+00  0.151806D+01
                86            87            88            89            90 
      1  -0.229500D+01  0.151806D+01 -0.179842D+01  0.211513D+01 -0.133433D+01
      2   0.124168D+01  0.301985D+01  0.211513D+01  0.435722D+01  0.280911D+01
      3   0.301985D+01  0.228116D+01 -0.133433D+01  0.280911D+01 -0.419774D+00
                91            92            93            94            95 
      1  -0.849155D+01 -0.208708D+01 -0.216592D+01  0.694873D+00  0.385370D+01
      2  -0.208708D+01  0.317343D+01 -0.710460D-02  0.385370D+01  0.148570D+01
      3  -0.216592D+01 -0.710460D-02  0.179015D+01 -0.709404D-01 -0.137207D+01
                96            97            98            99           100 
      1  -0.709404D-01 -0.327289D+01 -0.258490D+00  0.694910D+00 -0.678767D+01
      2  -0.137207D+01 -0.258490D+00 -0.143947D+01 -0.263735D+01 -0.165056D+01
      3  -0.194656D+01  0.694910D+00 -0.263735D+01  0.392293D+01 -0.286157D+01
               101           102           103           104           105 
      1  -0.165056D+01 -0.286157D+01 -0.524695D+00 -0.985440D+00 -0.160473D+00
      2  -0.124252D+01 -0.502914D+00 -0.985440D+00 -0.216667D+00 -0.615507D+00
      3  -0.502914D+00 -0.227371D+01 -0.160473D+00 -0.615507D+00 -0.386079D+00
               106           107           108           109           110 
      1  -0.487624D+01 -0.772775D+00 -0.326715D+01 -0.330248D+01 -0.166730D+01
      2  -0.772775D+00 -0.136301D+01 -0.107860D+01 -0.166730D+01 -0.807247D+00
      3  -0.326715D+01 -0.107860D+01 -0.284239D+01  0.197680D+01  0.882444D+00
               111           112           113           114           115 
      1   0.197680D+01 -0.106124D+01 -0.138770D+01  0.108542D+01  0.435562D+01
      2   0.882444D+00 -0.138770D+01 -0.143692D+01  0.142159D+01  0.191730D+01
      3  -0.206425D+01  0.108542D+01  0.142159D+01 -0.139246D+01 -0.415909D+01
               116           117           118           119           120 
      1   0.191730D+01 -0.415909D+01 -0.468716D+01  0.107101D+01 -0.187356D+01
      2   0.235123D+01 -0.218118D+01  0.107101D+01 -0.581432D+00  0.611536D-01
      3  -0.218118D+01  0.543381D+01 -0.187356D+01  0.611536D-01 -0.178670D+01
               121           122           123           124           125 
      1   0.433583D+01 -0.118969D+01  0.164976D+00 -0.326491D+01 -0.621362D-01
      2  -0.118969D+01  0.269486D+00 -0.104832D+01 -0.621362D-01 -0.108800D+01
      3   0.164976D+00 -0.104832D+01  0.113928D+01 -0.329235D+01  0.104167D+01
               126           127           128           129           130 
      1  -0.329235D+01  0.192716D+01 -0.356496D+00  0.107890D+01 -0.372854D+00
      2   0.104167D+01 -0.356496D+00  0.149217D+01 -0.777129D+00  0.937210D+00
      3  -0.878778D+01  0.107890D+01 -0.777129D+00  0.126024D+01 -0.542948D+00
               131           132           133           134           135 
      1   0.937210D+00 -0.542948D+00  0.179422D+01 -0.689625D+00  0.978363D+00
      2  -0.239123D+01  0.898768D+00 -0.689625D+00  0.185817D+01 -0.181699D+01
      3   0.898768D+00 -0.121754D+01  0.978363D+00 -0.181699D+01  0.299947D+01
               136           137           138           139           140 
      1  -0.754230D+00 -0.104061D+01 -0.488461D+00 -0.368209D+00 -0.376068D+00
      2  -0.104061D+01 -0.143145D+00 -0.203072D+00 -0.376068D+00 -0.738100D+01
      3  -0.488461D+00 -0.203072D+00  0.244115D-01 -0.234019D+00 -0.350298D+01
               141           142           143           144           145 
      1  -0.234019D+00 -0.104872D+01 -0.481995D+00  0.104074D+00  0.229777D+01
      2  -0.350298D+01 -0.481995D+00 -0.498201D+01 -0.362826D+01  0.212333D+01
      3  -0.245314D+01  0.104074D+00 -0.362826D+01 -0.338916D+01  0.751398D+00
               146           147           148           149           150 
      1   0.212333D+01  0.751398D+00  0.204797D+01  0.238835D+01  0.149595D+00
      2   0.279211D+01  0.486201D+00  0.238835D+01  0.564172D+01  0.145584D+01
      3   0.486201D+00  0.708311D+00  0.149595D+00  0.145584D+01  0.145899D+01
               151           152           153           154           155 
      1   0.641624D-01 -0.156179D+00  0.214830D+00  0.183776D+01 -0.864323D+00
      2  -0.156179D+00  0.215525D+00  0.753691D+00 -0.864323D+00  0.150153D+01
      3   0.214830D+00  0.753691D+00  0.368021D+00  0.143096D+01 -0.703606D+00
               156           157           158           159           160 
      1   0.143096D+01 -0.137180D+01  0.143188D+01 -0.868406D+00  0.123052D+01
      2  -0.703606D+00  0.143188D+01 -0.245074D+01  0.132901D+01 -0.739180D+00
      3   0.130754D+01 -0.868406D+00  0.132901D+01 -0.253416D+01  0.661757D+00
               161           162           163           164           165 
      1  -0.739180D+00  0.661757D+00 -0.545673D+01  0.162955D+01  0.377461D+01
      2   0.118341D+01 -0.126119D+01  0.162955D+01 -0.117906D+01 -0.149402D+01
      3  -0.126119D+01  0.268356D+01  0.377461D+01 -0.149402D+01 -0.428432D+01
               166           167           168           169           170 
      1   0.816817D+00 -0.755093D+00 -0.886605D+00  0.255949D+01 -0.108425D+01
      2  -0.755093D+00  0.125199D+01  0.136437D+01 -0.108425D+01  0.109030D+01
      3  -0.886605D+00  0.136437D+01  0.874967D+00 -0.325536D+01  0.129824D+01
               171           172           173           174           175 
      1  -0.325536D+01 -0.250798D+01  0.296876D+00 -0.174365D+01 -0.857183D+00
      2   0.129824D+01  0.296876D+00 -0.576521D-01 -0.198700D+00  0.718139D-01
      3   0.471330D+01 -0.174365D+01 -0.198700D+00 -0.223169D+01 -0.796079D+00
               176           177           178           179           180 
      1   0.718139D-01 -0.796079D+00 -0.237585D+01  0.139061D+00 -0.327543D+01
      2  -0.426977D+00 -0.824338D+00  0.139061D+00 -0.137883D+01  0.142806D+00
      3  -0.824338D+00 -0.138369D+01 -0.327543D+01  0.142806D+00 -0.711585D+01
               181           182           183           184           185 
      1   0.136652D+01  0.150899D+01  0.259950D-01  0.166528D+01  0.107373D+01
      2   0.150899D+01  0.370879D+01 -0.838342D+00  0.107373D+01  0.793014D+01
      3   0.259950D-01 -0.838342D+00  0.613816D+00 -0.314164D+00 -0.118001D+01
               186           187           188           189           190 
      1  -0.314164D+00  0.337281D+00 -0.500338D+00 -0.980915D-01 -0.818381D+01
      2  -0.118001D+01 -0.500338D+00 -0.682138D+00  0.115478D+01  0.343634D+01
      3   0.105649D+01 -0.980915D-01  0.115478D+01 -0.906466D+00  0.206718D+01
               191           192           193           194           195 
      1   0.343634D+01  0.206718D+01  0.175847D+01 -0.178467D+01 -0.844269D+00
      2  -0.202151D+01 -0.904993D+00 -0.178467D+01  0.211208D+01  0.689222D+00
      3  -0.904993D+00 -0.187846D+01 -0.844269D+00  0.689222D+00  0.343976D+00
               196           197           198           199           200 
      1   0.457924D+01 -0.209980D+01 -0.238060D+01 -0.458476D+00  0.138874D+01
      2  -0.209980D+01  0.195572D+01  0.885394D+00  0.138874D+01  0.817582D+00
      3  -0.238060D+01  0.885394D+00  0.161885D+01 -0.687136D+00 -0.162119D+00
               201           202           203           204           205 
      1  -0.687136D+00  0.170492D+01  0.104999D+01 -0.483992D-01 -0.185026D+01
      2  -0.162119D+00  0.104999D+01  0.594811D+01 -0.175895D+01  0.297463D+00
      3  -0.706751D-01 -0.483992D-01 -0.175895D+01  0.122201D+01  0.835294D+00
               206           207           208           209           210 
      1   0.297463D+00  0.835294D+00  0.453201D+00 -0.108635D+01  0.407158D+00
      2  -0.146421D+01  0.907202D+00 -0.108635D+01 -0.200693D+00 -0.184493D-01
      3   0.907202D+00 -0.543359D+00  0.407158D+00 -0.184493D-01  0.140010D+00
               211           212           213           214           215 
      1  -0.198157D+01 -0.418322D+00 -0.522202D-01  0.633913D+00 -0.103956D+00
      2  -0.418322D+00 -0.670859D+01  0.110049D+01 -0.103956D+00  0.154638D+01
      3  -0.522202D-01  0.110049D+01 -0.104131D+01 -0.340612D+00 -0.768324D+00
               216           217           218           219           220 
      1  -0.340612D+00  0.124611D+01  0.381032D+00 -0.554920D+00  0.111823D+01
      2  -0.768324D+00  0.381032D+00 -0.903631D+00  0.171611D+00 -0.982673D-02
      3   0.375654D+00 -0.554920D+00  0.171611D+00 -0.630249D+00  0.255738D-01
               221           222           223           224           225 
      1  -0.982673D-02  0.255738D-01 -0.182347D+01 -0.881200D+00  0.535819D+00
      2   0.141021D+01 -0.113418D+01 -0.881200D+00 -0.231895D+01  0.238871D+01
      3  -0.113418D+01  0.144023D+01  0.535819D+00  0.238871D+01 -0.693447D+01
               226           227           228           229           230 
      1   0.103072D+02  0.298380D+01  0.771230D+00  0.148862D+01  0.119436D+01
      2   0.298380D+01  0.188453D+01  0.194464D+00  0.119436D+01  0.764691D+00
      3   0.771230D+00  0.194464D+00  0.118197D+01  0.175418D+00  0.363891D+00
               231           232           233           234           235 
      1   0.175418D+00  0.157015D+01  0.524954D+00  0.118901D+01 -0.694165D+00
      2   0.363891D+00  0.524954D+00  0.664343D+00  0.689676D+00  0.865003D+00
      3   0.358749D+00  0.118901D+01  0.689676D+00  0.175384D+00  0.115562D+01
               236           237           238           239           240 
      1   0.865003D+00  0.115562D+01  0.224436D+01 -0.715159D+00 -0.409586D+00
      2  -0.255617D+01 -0.599098D+00 -0.715159D+00  0.447640D+01  0.159544D+01
      3  -0.599098D+00 -0.120669D+01 -0.409586D+00  0.159544D+01  0.167738D+01
               241           242           243 
      1   0.164586D+01 -0.170367D+00 -0.641195D+00
      2  -0.170367D+00  0.251641D+01  0.199718D+01
      3  -0.641195D+00  0.199718D+01  0.164054D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.994999D+00 -0.112194D+02  0.186569D+01 -0.117282D+02 -0.297243D+01
      2   0.723873D+01  0.953623D+00  0.551494D+01 -0.437958D+00  0.123433D+02
      3  -0.223088D+01 -0.111388D+02 -0.964898D+00 -0.639117D+01 -0.768053D+01
                 6             7             8             9            10 
      1  -0.891150D+01  0.198757D+01 -0.207116D+01  0.306963D+01 -0.825145D+01
      2  -0.770580D+01 -0.138097D+01 -0.598005D+01 -0.769797D+01 -0.239872D+02
      3  -0.222852D+00  0.117177D+01  0.201947D+00  0.432096D+01  0.393935D+01
                11            12            13            14            15 
      1   0.610157D+01  0.259070D+01  0.714181D+01 -0.725537D+00 -0.400894D+01
      2   0.807947D+01  0.123912D+02  0.147425D+02 -0.692247D+01  0.252056D+01
      3   0.656332D+01 -0.171859D+01  0.151557D+02  0.154200D+02  0.161020D+01
                16            17            18            19            20 
      1   0.449616D+01  0.572512D+01  0.910682D+00  0.114159D+02 -0.447177D+01
      2   0.141644D+02  0.128188D+01  0.410961D+01  0.252602D+02 -0.605362D+01
      3  -0.299765D+01  0.547766D+00 -0.420951D+01 -0.298349D+01 -0.477843D+01
                21            22            23            24            25 
      1  -0.245464D+01 -0.629174D+01 -0.534716D+01 -0.645192D+00 -0.762121D+01
      2   0.835671D+00 -0.117230D+02  0.550761D+01  0.414048D+01 -0.181852D+02
      3  -0.902292D+00  0.803332D+01 -0.188525D+01 -0.569259D+00 -0.265033D+01
                26            27            28            29            30 
      1   0.509713D+01  0.313456D+01 -0.114623D+02  0.170593D+01  0.114626D+01
      2   0.405877D+01  0.287209D+01 -0.293125D+02  0.295026D+01 -0.787478D+01
      3  -0.832989D+00 -0.189648D+01  0.351718D+01  0.241167D+01  0.222355D+01
                31            32            33            34            35 
      1   0.337608D+01  0.335287D+01 -0.202709D+01  0.595497D+01  0.292616D+01
      2   0.831658D+01 -0.310847D+01  0.192385D+01 -0.405865D+02  0.311213D+01
      3   0.181234D+02 -0.722620D+00  0.858800D+00  0.695067D+01  0.147024D+01
                36            37            38            39            40 
      1  -0.912817D+00  0.930649D+01 -0.153393D+01 -0.251668D+01 -0.788285D+01
      2  -0.106567D+02  0.364013D+02 -0.418647D+01  0.132333D+02 -0.639590D+01
      3   0.736314D+00  0.444784D+01 -0.623499D+01 -0.157751D+01  0.894455D+01
                41            42            43            44            45 
      1   0.590797D-01 -0.240041D+01 -0.611766D+01  0.458192D+00 -0.644831D+00
      2  -0.825025D+00  0.350960D+00  0.133983D+02 -0.345107D+00  0.732327D+01
      3  -0.121587D+02  0.461253D+01 -0.437575D+01  0.299780D+01  0.226506D+00
                46            47            48            49            50 
      1  -0.874678D+01 -0.134723D+01  0.940510D+01 -0.107723D+01  0.696443D+01
      2  -0.204640D+02  0.428281D+01 -0.174026D+02  0.221836D+01 -0.147405D+01
      3  -0.112548D+02  0.686486D+01  0.301550D+01  0.205118D+02  0.701701D+01
                51            52            53            54            55 
      1   0.449456D+01  0.582306D+01  0.166218D+02 -0.324059D+01  0.455981D+01
      2   0.243052D+01 -0.265344D+02 -0.254153D+01 -0.750872D+01  0.160817D+02
      3   0.231059D+01  0.545423D+00  0.441683D+01 -0.141314D+01  0.685768D+01
                56            57            58            59            60 
      1   0.138599D+01 -0.235622D+01 -0.180646D+01 -0.244920D+01 -0.465707D+01
      2  -0.388358D+01  0.176704D+02 -0.105474D+02  0.599463D+01 -0.111284D+02
      3  -0.158741D+02  0.448396D-01 -0.953288D+01  0.169126D+02 -0.369978D+01
                61            62            63            64            65 
      1   0.851778D+00 -0.147780D+01  0.187637D+01  0.626000D+01 -0.399228D+01
      2   0.145612D+02 -0.486009D+01  0.133057D+02  0.104330D+02 -0.111878D+02
      3   0.672464D+00 -0.676179D+01  0.485388D+01  0.539972D+00 -0.198637D+02
                66            67            68            69            70 
      1  -0.810040D+01 -0.424230D+01  0.410001D+01 -0.421292D+01 -0.116078D+02
      2  -0.878027D+01 -0.103951D+02  0.123001D+00 -0.306712D+01 -0.175213D+02
      3   0.570307D+01 -0.920998D+01 -0.191207D+02  0.414230D+01  0.466368D+01
                71            72            73            74            75 
      1   0.235035D+01 -0.973106D+01  0.447179D+01 -0.379263D+01  0.404226D+01
      2   0.764674D+00 -0.120301D+02 -0.305693D+01  0.210601D+01 -0.964983D+01
      3   0.391545D+01  0.941269D+01  0.823612D+01 -0.173644D+02 -0.799979D+01
                76            77            78            79            80 
      1  -0.318153D+01 -0.328601D+01  0.262876D+00  0.740158D+01  0.605790D+01
      2   0.577926D+01  0.200704D+01 -0.551773D+01 -0.235298D+02 -0.857362D+01
      3  -0.103611D+02 -0.156353D+02  0.328107D+00 -0.874003D+01  0.105544D+01
                81            82            83            84            85 
      1  -0.180026D+01 -0.446567D+01  0.672403D+01 -0.292507D+01  0.908724D+01
      2   0.574490D+01  0.428979D+01 -0.334399D+01  0.279864D+01 -0.517787D+01
      3   0.152701D+01 -0.114295D+02  0.382279D+00  0.880171D+01  0.866029D+01
                86            87            88            89            90 
      1   0.998652D+01  0.173904D+01 -0.226299D+01  0.950238D+01 -0.145772D+01
      2  -0.420046D+01 -0.128847D+01 -0.104385D+01 -0.618499D+00  0.214535D+00
      3   0.575460D+01 -0.143876D+01  0.110119D+02 -0.907831D+00  0.734215D+01
                91            92            93            94            95 
      1   0.368467D+01 -0.269554D+01 -0.611943D+01  0.273286D+00  0.272270D+01
      2  -0.101406D+02 -0.172015D+00  0.905121D+01  0.296570D+00 -0.374777D+01
      3  -0.167696D+01 -0.196752D+02 -0.410267D+01 -0.109252D+02 -0.533981D+00
                96            97            98            99           100 
      1  -0.914065D+00  0.225787D+01  0.110610D+02 -0.730260D+01 -0.369674D+01
      2  -0.494966D+01 -0.149496D+01 -0.102592D+02  0.143947D+02  0.857531D+01
      3   0.508918D+01 -0.293819D+01  0.709394D+01  0.129063D+02  0.413657D+01
               101           102           103           104           105 
      1   0.398603D+00 -0.347270D+01 -0.865291D-01 -0.640951D+00 -0.144881D+01
      2   0.126477D+01  0.958352D+01  0.738328D+00  0.167793D+01  0.142872D+01
      3  -0.382968D+01  0.218828D+01 -0.278964D+00  0.102109D+01 -0.176487D+01
               106           107           108           109           110 
      1  -0.403816D+01  0.440624D+00 -0.409789D+01  0.227861D+01  0.901730D-01
      2   0.785246D+01  0.292143D+01  0.969204D+01 -0.393890D+01 -0.253003D+01
      3   0.388620D+01 -0.491570D+01  0.848809D+00  0.277218D+00 -0.225590D+01
               111           112           113           114           115 
      1  -0.299182D+01  0.187016D+01  0.103273D+01 -0.265283D+01 -0.468669D+01
      2   0.779458D+01 -0.222493D+01 -0.458805D+01  0.479175D+01  0.101370D+02
      3   0.351240D+00 -0.209892D+00 -0.301773D+01  0.282110D+01  0.462133D+00
               116           117           118           119           120 
      1   0.774101D+00  0.767018D+01 -0.196137D+01  0.157492D+01 -0.460585D+00
      2   0.646794D+01 -0.178740D+02 -0.320437D+01  0.136666D+01  0.117011D+01
      3   0.683202D+01 -0.172132D+01  0.778539D+00 -0.193038D+01  0.644358D+00
               121           122           123           124           125 
      1   0.232275D+01 -0.224238D+00  0.687703D+00  0.184220D+01  0.401777D+01
      2   0.494487D+01 -0.695046D+00 -0.670817D+00 -0.340719D+01 -0.986377D+00
      3   0.122367D+01 -0.100382D+00 -0.663915D+00  0.930761D+00 -0.152922D+01
               126           127           128           129           130 
      1  -0.302726D+01  0.306281D+01 -0.187032D+01  0.402067D+01 -0.172007D+01
      2   0.489100D+01 -0.247803D+01  0.950955D+00 -0.410644D+00  0.107810D+01
      3   0.125465D+01 -0.798757D+01  0.178593D+01 -0.482470D+01  0.377298D+01
               131           132           133           134           135 
      1   0.204757D+01 -0.415888D+01  0.298140D+01 -0.262609D+01  0.890558D+01
      2  -0.118658D+01  0.944353D+00 -0.332930D+01  0.208246D+01 -0.284104D+01
      3  -0.572493D+01  0.301766D+01 -0.744728D+01  0.439872D+01 -0.649539D+01
               136           137           138           139           140 
      1  -0.331514D+00 -0.644714D+00  0.356442D+00  0.181723D+00 -0.370890D+01
      2   0.842357D-01 -0.125379D+00  0.511318D+00 -0.803226D+00  0.343916D+01
      3  -0.116347D+01  0.908872D+00  0.513481D+00  0.447934D+01 -0.105906D+02
               141           142           143           144           145 
      1  -0.662206D+01  0.666866D+00 -0.411324D+01 -0.709149D+01  0.398348D+01
      2   0.257079D+01 -0.237160D+01  0.372530D+01  0.383923D+01 -0.786916D+01
      3  -0.470089D+01  0.251643D+01 -0.606230D+01 -0.594996D+01  0.855050D+01
               146           147           148           149           150 
      1   0.595809D+01 -0.123177D+01  0.537567D+01  0.945750D+01 -0.159170D+01
      2  -0.542052D+01 -0.138965D+01 -0.600001D+01 -0.840993D+01 -0.156766D+01
      3   0.585859D+01  0.142033D+01  0.920293D+01  0.108292D+02  0.262649D+01
               151           152           153           154           155 
      1  -0.844236D+00  0.740053D+00  0.132636D+01 -0.393496D+01  0.552637D+01
      2  -0.184882D+01 -0.959986D+00 -0.979146D+00 -0.880616D+01  0.384246D+01
      3  -0.681467D+00 -0.183297D+00  0.163387D+01 -0.336887D+00  0.407459D+00
               156           157           158           159           160 
      1  -0.217141D+01  0.487711D+01 -0.856480D+01  0.271843D+01 -0.240091D+01
      2  -0.384400D+01  0.592791D+01 -0.612403D+01  0.539864D+01 -0.533986D+01
      3   0.266904D-01  0.282811D+01 -0.132301D+01  0.107691D+01 -0.654225D+00
               161           162           163           164           165 
      1   0.491466D+01 -0.413279D+01 -0.934126D+00 -0.186596D+01  0.207625D+01
      2   0.382561D+01 -0.518203D+01  0.388167D+01  0.206717D+00  0.340794D+01
      3   0.251610D+00 -0.114939D+01 -0.219355D+01 -0.258165D+01  0.396858D+00
               166           167           168           169           170 
      1  -0.235637D+00  0.114515D+01  0.360644D+00  0.100798D+01  0.269730D+01
      2  -0.110944D+01 -0.155017D+01  0.128377D+00 -0.303241D+01  0.793504D-01
      3   0.552182D+00  0.195301D+01  0.139066D+01  0.165272D+01  0.172219D+01
               171           172           173           174           175 
      1  -0.284793D+01  0.285415D+01  0.113338D+01  0.440075D+01  0.795019D+00
      2  -0.322883D+01  0.305862D+01  0.715650D+00  0.681151D+01  0.108796D+01
      3  -0.807649D+00 -0.275166D+01 -0.729314D+00 -0.356796D+01  0.199581D+00
               176           177           178           179           180 
      1   0.250688D+01  0.202119D+01  0.537717D+01  0.419503D+01  0.124723D+02
      2   0.265707D+01  0.392759D+01  0.534413D+01  0.143791D+00  0.200625D+02
      3  -0.167440D+01 -0.355352D+01 -0.363358D+01 -0.541040D+01 -0.507155D+01
               181           182           183           184           185 
      1  -0.110538D+01 -0.628634D+00 -0.171792D+01 -0.402838D+00 -0.273124D+01
      2   0.139521D+01  0.328036D+01 -0.535715D+00  0.249821D+01  0.438067D+01
      3   0.988877D+01  0.135427D+02 -0.242746D+01  0.100545D+02  0.269286D+02
               186           187           188           189           190 
      1  -0.389282D+01  0.402354D+00 -0.297570D+00  0.139171D+01 -0.584327D+01
      2  -0.258312D+01 -0.621358D+00 -0.340172D+01  0.230514D+01 -0.101961D+02
      3  -0.439562D+01 -0.161352D+01 -0.341224D+01  0.328256D+01 -0.411044D+01
               191           192           193           194           195 
      1   0.232773D+01  0.506672D+01  0.267570D+01 -0.222340D+01 -0.217585D+01
      2   0.477014D+01  0.993548D+01  0.396972D+01 -0.332847D+01 -0.228758D+01
      3  -0.311109D+01  0.796494D+00 -0.234348D-01  0.422662D+01  0.532309D+00
               196           197           198           199           200 
      1   0.504582D+01 -0.903762D+00 -0.377242D+01  0.348089D+00 -0.110389D+01
      2   0.844171D+01 -0.342295D+01 -0.748321D+01 -0.346327D+00  0.119020D+01
      3   0.842249D+00  0.368668D+01 -0.137565D+01  0.107001D+00 -0.272007D+00
               201           202           203           204           205 
      1  -0.654670D+00 -0.222634D+01 -0.550419D+01 -0.178907D+01 -0.570261D+01
      2  -0.343474D+00  0.202832D+01  0.947250D+00  0.607190D+00 -0.318213D+01
      3   0.803061D-02  0.340147D+01 -0.302557D+01  0.297532D+00 -0.144577D+01
               206           207           208           209           210 
      1   0.225728D+01 -0.885748D+00  0.864681D+00  0.575415D-01 -0.167944D+00
      2   0.100832D+00  0.506343D+00  0.229315D+01 -0.251697D+00  0.367408D+00
      3   0.582391D+00 -0.782462D+00  0.302658D+01  0.927476D+00 -0.265196D+00
               211           212           213           214           215 
      1  -0.228967D+00  0.782892D+00 -0.355935D+01 -0.168102D+01  0.317933D+00
      2  -0.282247D+00  0.317266D+01 -0.212156D+01 -0.451875D+01 -0.179205D+01
      3   0.588212D+01  0.137641D+02 -0.249143D+01 -0.188205D+01 -0.315364D+01
               216           217           218           219           220 
      1   0.580063D+00 -0.120858D-01 -0.611733D+00  0.161768D+01 -0.128380D+01
      2   0.424157D+00 -0.148685D+01  0.103811D+01 -0.212681D+01  0.174375D+01
      3   0.177247D+01 -0.101790D+01  0.304785D+01 -0.191894D+01  0.161312D+01
               221           222           223           224           225 
      1   0.108919D+01 -0.270371D+01 -0.147516D+01 -0.320671D+01  0.128078D+02
      2  -0.366260D+01  0.472563D+01 -0.223014D+00  0.852522D+01 -0.242955D+02
      3  -0.520194D+01  0.387117D+01 -0.517413D+00  0.625928D+01 -0.872009D+01
               226           227           228           229           230 
      1  -0.232280D+01 -0.596237D+00 -0.225287D+01 -0.743623D+00 -0.709676D+00
      2   0.568102D+01  0.159348D+01  0.660632D+01  0.131049D+01  0.163715D+01
      3   0.475884D+01 -0.507109D+01  0.731544D+00  0.259223D+00 -0.837787D+00
               231           232           233           234           235 
      1  -0.148742D+01 -0.129760D+01 -0.130942D+00 -0.409297D+00 -0.101704D+01
      2   0.173098D+01  0.324721D+01  0.209937D+01  0.114290D+01  0.387315D+01
      3  -0.107009D+01  0.415455D+00 -0.210542D+01 -0.120068D+01 -0.686507D+01
               236           237           238           239           240 
      1   0.338994D+01  0.300561D+01  0.190175D+01 -0.464342D+01 -0.448114D+01
      2  -0.295296D+01 -0.326941D+01 -0.158385D+01  0.593559D+01  0.526756D+01
      3   0.111273D+02  0.491933D+01  0.747111D+01 -0.176518D+02 -0.676527D+01
               241           242           243 
      1   0.579232D+00 -0.444494D+01 -0.430582D+01
      2  -0.243184D+01  0.761095D+01  0.569980D+01
      3   0.385543D+01 -0.101575D+02 -0.932495D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.629643D+01  0.683988D+01  0.840642D+01  0.407366D+01  0.198033D+02
      2   0.556995D+01 -0.200016D+02 -0.124600D+02 -0.164745D+02 -0.114047D+02
      3  -0.118664D+02  0.131618D+02  0.405361D+01  0.124008D+02 -0.839865D+01
      4   0.829119D+01  0.622833D+01 -0.133719D+02  0.819980D+01 -0.306838D+01
      5   0.225900D+02 -0.135311D+02 -0.266946D+02 -0.136746D+02 -0.287824D+01
      6  -0.916228D+01 -0.739018D+01  0.121770D+02 -0.792053D+01 -0.658290D+01
                 6             7             8             9            10 
      1  -0.963401D+01  0.364539D+01 -0.115581D+02 -0.179402D+02 -0.652427D+00
      2  -0.468503D+00 -0.895564D+01  0.164356D+01  0.943284D+01 -0.163366D+01
      3   0.101025D+02  0.531024D+01  0.991454D+01  0.850737D+01  0.228609D+01
      4   0.801475D+01 -0.152713D+02  0.750932D+01  0.433605D+01 -0.157125D+02
      5   0.114456D+01 -0.260309D+02  0.634279D+01  0.843645D+01 -0.123482D+02
      6  -0.398202D+01  0.122345D+02 -0.369336D+01  0.569545D+01  0.798731D+01
                11            12            13            14            15 
      1  -0.102420D+02 -0.207419D+01 -0.230517D+01 -0.269684D+02  0.926572D+01
      2   0.131942D+02  0.144697D+01  0.394859D+01  0.123873D+02 -0.187898D+01
      3  -0.295221D+01  0.627223D+00 -0.164342D+01  0.145811D+02 -0.738674D+01
      4  -0.132733D+02  0.123926D+02 -0.198162D+02 -0.187325D+02 -0.770687D+01
      5   0.115969D+02  0.159287D+02  0.142387D+02 -0.250841D+01  0.606164D+01
      6  -0.762001D+01 -0.238460D+01 -0.273692D+01  0.109309D+02 -0.114176D+01
                16            17            18            19            20 
      1  -0.271297D+01  0.148964D+02  0.166169D+02  0.330821D+02  0.747353D+01
      2  -0.486947D+01 -0.453954D+01 -0.117631D+02 -0.153850D+02 -0.996520D+01
      3   0.758244D+01 -0.103569D+02 -0.485384D+01 -0.176971D+02  0.249168D+01
      4   0.182906D+02 -0.147014D+02  0.144532D+01  0.994156D+01 -0.724269D+01
      5   0.234820D+02  0.164147D+01  0.941951D+01 -0.582855D+01 -0.212633D+01
      6  -0.321169D+01 -0.104013D+01 -0.832046D+01 -0.707937D+01 -0.781240D+00
                21            22            23            24            25 
      1   0.505416D+01  0.459742D+01  0.223424D+01 -0.342926D+01  0.192140D+02
      2   0.224390D+01 -0.571979D+01 -0.599557D+01  0.119490D+01  0.742839D+01
      3  -0.729806D+01  0.112237D+01  0.376134D+01  0.223436D+01 -0.266424D+02
      4  -0.457862D+01 -0.713738D+01 -0.177246D+01  0.458711D+01 -0.117504D+02
      5  -0.753209D+01 -0.536994D+01  0.103853D+01  0.521650D+01 -0.168703D+02
      6   0.618043D+00 -0.201867D+01 -0.398809D+01  0.269763D+01 -0.163599D+01
                26            27            28            29            30 
      1  -0.905679D+01  0.117202D+02 -0.108805D+03  0.109222D+02 -0.127395D+02
      2   0.498303D+01  0.144553D+02  0.452399D+02 -0.590665D+01  0.453999D+01
      3   0.407376D+01 -0.261755D+02  0.635651D+02 -0.501550D+01  0.819946D+01
      4   0.106047D+02  0.222746D+01  0.186442D+02 -0.987895D+01  0.102058D+01
      5   0.530741D+01 -0.154861D+02 -0.131595D+01 -0.126448D+01 -0.104125D+02
      6   0.395058D+01  0.106243D+01  0.704264D+01  0.298537D+01  0.183332D+01
                31            32            33            34            35 
      1   0.439545D+02 -0.658614D+01  0.197936D+01 -0.399214D+02 -0.923227D+00
      2  -0.207860D+02  0.244010D+01  0.810844D+00  0.120429D+02  0.286799D+01
      3  -0.231685D+02  0.414604D+01 -0.279020D+01  0.278785D+02 -0.194477D+01
      4  -0.151152D+02 -0.322312D+01  0.104711D+01  0.745781D+01 -0.372779D+01
      5   0.655276D+01  0.239567D+01  0.265730D+01 -0.655067D+01  0.147153D-01
      6   0.151398D+01  0.893195D+01 -0.120284D+01  0.116799D+00  0.339357D+01
                36            37            38            39            40 
      1  -0.286750D+02  0.156908D+03 -0.257923D+02  0.278865D+02 -0.201024D+02
      2  -0.706112D+00 -0.680933D+02  0.111301D+02 -0.952294D+01  0.580611D+01
      3   0.293811D+02 -0.888145D+02  0.146622D+02 -0.183635D+02  0.142963D+02
      4   0.415018D+01 -0.486029D+02  0.140478D+02 -0.522485D+01  0.166474D+02
      5  -0.132816D+02  0.210501D+02 -0.144597D+01  0.200824D+02  0.353183D+01
      6   0.379675D+01 -0.867416D+01 -0.141129D+01 -0.305817D+01 -0.131647D+01
                41            42            43            44            45 
      1   0.123774D+02 -0.774595D+01  0.377417D+02 -0.967174D+01  0.784167D+01
      2  -0.111333D+02  0.229048D+01 -0.166753D+02  0.737123D+01 -0.753047D+01
      3  -0.124408D+01  0.545547D+01 -0.210665D+02  0.230052D+01 -0.311202D+00
      4   0.126133D+02 -0.503338D+01 -0.707192D+01 -0.616742D+01 -0.577774D+01
      5  -0.688644D+01 -0.300303D+01  0.277650D+02 -0.594647D+01  0.625927D+01
      6   0.416273D+01  0.473462D+01 -0.831166D+01  0.630390D+01  0.825569D+00
                46            47            48            49            50 
      1  -0.138815D+03  0.400314D+02 -0.240523D+02  0.425268D+02 -0.248902D+02
      2   0.621210D+02 -0.188929D+02  0.132565D+02 -0.277639D+02  0.498330D+01
      3   0.766939D+02 -0.211384D+02  0.107958D+02 -0.147629D+02  0.199069D+02
      4   0.687020D+02 -0.304050D+02  0.152835D+02 -0.393384D+02 -0.150022D+02
      5  -0.382313D+02  0.113759D+02 -0.224339D+02  0.205078D+02 -0.916178D+00
      6   0.152285D+02 -0.589492D+01  0.137100D+01  0.455008D+00  0.433358D+01
                51            52            53            54            55 
      1   0.125637D+02 -0.445242D+02  0.137385D+02 -0.149706D+02  0.151754D+03
      2  -0.103745D+02  0.210929D+02 -0.374546D+01  0.331070D+01 -0.737641D+02
      3  -0.218924D+01  0.234314D+02 -0.999306D+01  0.116599D+02 -0.779897D+02
      4  -0.860365D+00  0.288325D+02 -0.159449D+01  0.721761D+01 -0.671902D+02
      5   0.248612D+01 -0.902064D+01  0.520259D+01 -0.111607D+02  0.334912D+02
      6  -0.674817D+01  0.329031D+00  0.216636D+01  0.425791D+01 -0.778069D+01
                56            57            58            59            60 
      1  -0.415947D+02  0.244387D+02 -0.838484D+02  0.310598D+02 -0.125853D+02
      2   0.161059D+02 -0.150074D+02  0.334907D+02 -0.339488D+01  0.734967D+01
      3   0.254888D+02 -0.943131D+01  0.503578D+02 -0.276650D+02  0.523567D+01
      4   0.393969D+02 -0.117920D+02  0.690398D+02 -0.476174D+02  0.146787D+02
      5  -0.990003D+01  0.283179D+02 -0.216179D+02  0.123083D+02 -0.152828D+02
      6   0.397494D+01 -0.543260D+01  0.847407D+01 -0.604614D+01  0.115211D+02
                61            62            63            64            65 
      1   0.414981D+02 -0.701951D+01  0.244966D+02 -0.262830D+02  0.299986D+02
      2  -0.242286D+02  0.478541D+01 -0.187157D+02  0.793092D+01 -0.267927D+02
      3  -0.172695D+02  0.223410D+01 -0.578090D+01  0.183521D+02 -0.320598D+01
      4  -0.193098D+02  0.100929D+02 -0.211398D+02  0.244413D+02  0.667982D+01
      5   0.462485D+02 -0.199231D+02  0.295464D+02  0.150288D+02 -0.159893D+02
      6  -0.902253D+01  0.107369D+02 -0.796749D+01 -0.103451D+02  0.151206D+02
                66            67            68            69            70 
      1   0.109024D+02  0.219463D+02  0.300579D+02 -0.190090D+02  0.184276D+02
      2   0.566923D+01 -0.180284D+02 -0.267514D+02  0.118918D+02  0.479526D+01
      3  -0.165716D+02 -0.391794D+01 -0.330652D+01  0.711721D+01 -0.232228D+02
      4  -0.208988D+02  0.857728D+01  0.144597D+01  0.104143D+02 -0.265038D+02
      5  -0.183551D+02 -0.179971D+02  0.817086D+01 -0.113447D+02 -0.251845D+02
      6   0.651203D+01  0.128211D+02  0.288798D+00  0.329050D+01  0.880680D+01
                71            72            73            74            75 
      1  -0.215433D+02 -0.234091D+02 -0.144052D+01 -0.139256D+02 -0.214637D+02
      2   0.114819D+02  0.246195D+02  0.183014D+00  0.108451D+02  0.128791D+02
      3   0.100614D+02 -0.121046D+01  0.125750D+01  0.308054D+01  0.858459D+01
      4   0.146098D+02  0.268857D+01 -0.127230D+02  0.533789D+01 -0.119505D+01
      5  -0.463296D+01 -0.292813D+02 -0.106688D+02  0.340164D+01 -0.234189D+02
      6   0.332420D+01  0.715295D+01 -0.408150D+01  0.695557D+01 -0.763730D+01
                76            77            78            79            80 
      1  -0.173544D+02  0.174207D+02  0.767418D+01 -0.231603D+02  0.209489D+01
      2   0.174162D+02 -0.219593D+01 -0.551321D+01  0.135031D+02 -0.168950D+01
      3  -0.617830D-01 -0.152247D+02 -0.216097D+01  0.965720D+01 -0.405385D+00
      4   0.130746D+02  0.358376D+02  0.467076D+01  0.452528D+01  0.975082D+01
      5   0.108282D+02 -0.173793D+01 -0.118444D+02 -0.382960D+02 -0.162042D+02
      6   0.357856D+01 -0.740578D+00 -0.482395D+01 -0.139679D+02 -0.590386D+01
                81            82            83            84            85 
      1  -0.246299D+02 -0.197114D+02 -0.228862D+00  0.151481D+02  0.209494D+01
      2   0.167715D+02  0.173829D+02  0.628747D+01 -0.147080D+02  0.252615D+01
      3   0.785843D+01  0.232848D+01 -0.605860D+01 -0.440103D+00 -0.462110D+01
      4  -0.215379D+02  0.591566D+00  0.992943D+01  0.267230D+01  0.987420D+01
      5   0.112019D+02  0.694852D+01 -0.295560D+01  0.167589D+01 -0.612666D+01
      6   0.889690D+01  0.101323D+02 -0.670508D+01  0.322496D+01 -0.406629D+01
                86            87            88            89            90 
      1   0.111327D+02  0.517157D+01  0.181543D+02  0.115072D+02  0.158916D+02
      2  -0.626407D+01 -0.929066D+01 -0.171566D+02 -0.180449D+02 -0.179062D+02
      3  -0.486864D+01  0.411909D+01 -0.997642D+00  0.653767D+01  0.201453D+01
      4  -0.347085D+01 -0.131676D+02  0.960169D+00 -0.190119D+02 -0.277554D+01
      5  -0.674734D+01 -0.344781D+01  0.408887D+01 -0.548424D+01 -0.611598D+00
      6  -0.178410D+02 -0.150215D+02  0.396517D+01 -0.207676D+02 -0.319788D+01
                91            92            93            94            95 
      1  -0.586105D+02 -0.299270D+02 -0.150838D+02 -0.118495D+02  0.200073D+02
      2   0.247415D+02  0.232406D+02  0.114482D+02  0.139483D+02 -0.450623D+01
      3   0.338690D+02  0.668649D+01  0.363558D+01 -0.209887D+01 -0.155011D+02
      4  -0.263617D+02  0.144399D+02 -0.505428D+01  0.223720D+02  0.182632D+02
      5  -0.131647D+02 -0.195855D+01  0.128612D+02 -0.259019D+01 -0.930149D+01
      6  -0.658156D+01  0.186053D+01  0.800636D+01 -0.562658D+00 -0.897078D+01
                96            97            98            99           100 
      1   0.298512D+01 -0.221934D+02  0.439281D+00  0.214760D+02  0.528245D+02
      2  -0.754914D+01  0.121496D+02 -0.102317D+02 -0.894458D+01 -0.273151D+02
      3   0.456402D+01  0.100438D+02  0.979247D+01 -0.125314D+02 -0.255094D+02
      4  -0.747482D+01 -0.745442D+01 -0.724179D+01 -0.128951D+02  0.235931D+02
      5  -0.994516D+01  0.546676D+01 -0.155547D+02  0.260394D+02  0.240545D+02
      6  -0.387545D+01  0.332205D+01 -0.111839D+02  0.135285D+02  0.576633D+01
               101           102           103           104           105 
      1   0.962029D+01  0.200120D+02  0.336335D+01  0.504503D+01 -0.509973D+00
      2  -0.301050D+01 -0.110363D+02  0.198687D+00 -0.154386D+01  0.170312D+01
      3  -0.660979D+01 -0.897575D+01 -0.356203D+01 -0.350117D+01 -0.119315D+01
      4   0.130716D+02  0.801560D+01  0.112178D+02  0.422889D+01  0.563806D+01
      5   0.381760D+01  0.192584D+02  0.156731D+01  0.581792D+01  0.303640D+01
      6   0.192692D+01  0.548547D+01  0.245611D+01  0.255960D+01  0.406536D+01
               106           107           108           109           110 
      1   0.315324D+02  0.319955D+01  0.176456D+02  0.230260D+02  0.865535D+01
      2  -0.180669D+02  0.509308D+00 -0.133779D+02 -0.131063D+02 -0.404486D+01
      3  -0.134654D+02 -0.370886D+01 -0.426767D+01 -0.991975D+01 -0.461049D+01
      4   0.140415D+02  0.106402D+02  0.121851D+02  0.181334D+02  0.108662D+02
      5   0.268202D+02  0.763629D+01  0.213426D+02 -0.175455D+02 -0.743141D+01
      6   0.777071D+01  0.481721D+01  0.639930D+01 -0.764521D+01 -0.458773D+01
               111           112           113           114           115 
      1  -0.865968D+01  0.683255D+01 -0.716132D+00 -0.123530D+01 -0.163044D+02
      2   0.586962D+01 -0.217608D+01  0.383580D+01 -0.874630D+00  0.122336D+02
      3   0.279006D+01 -0.465647D+01 -0.311967D+01  0.210993D+01  0.407079D+01
      4  -0.945890D+01  0.138513D+02  0.109736D+02 -0.116365D+02 -0.196245D+02
      5   0.186154D+02 -0.824764D+01 -0.102107D+02  0.970195D+01  0.323498D+02
      6   0.656793D+01 -0.656957D+01 -0.738654D+01  0.893635D+01  0.137521D+02
               116           117           118           119           120 
      1  -0.250497D+01  0.922137D+01 -0.816558D+00  0.198328D+00 -0.129031D+01
      2  -0.137141D+00 -0.143091D+02 -0.592780D+01  0.108180D+01 -0.430014D+01
      3   0.264211D+01  0.508770D+01  0.674435D+01 -0.128013D+01  0.559045D+01
      4  -0.186770D+02  0.199433D+02 -0.503443D+00  0.415877D+01  0.439930D+00
      5   0.154919D+02 -0.375374D+02  0.827522D+01 -0.960981D+00  0.121643D+02
      6   0.118033D+02 -0.180469D+02  0.217495D+00  0.130820D+01  0.676082D-01
               121           122           123           124           125 
      1   0.550565D+01 -0.469303D+01  0.272707D+01 -0.844997D+01  0.977601D+00
      2  -0.130904D+01 -0.476974D+00  0.126029D+01 -0.566251D+01  0.314536D+01
      3  -0.419661D+01  0.517000D+01 -0.398735D+01  0.141125D+02 -0.412296D+01
      4   0.386966D+01  0.279951D+00  0.315778D+01  0.125401D+01  0.347608D+01
      5  -0.138118D+01  0.326026D+01 -0.232621D+01  0.164668D+02 -0.292857D+01
      6   0.175256D+01 -0.164153D+01  0.702116D+01  0.148136D+01  0.467759D+01
               126           127           128           129           130 
      1  -0.243582D+02 -0.353547D+01  0.731173D+01 -0.546067D+01  0.474443D+01
      2  -0.195248D+02  0.334461D+01 -0.952791D+01  0.510592D+01 -0.573371D+01
      3   0.438830D+02  0.190864D+00  0.221618D+01  0.354757D+00  0.989279D+00
      4  -0.773145D+00 -0.515270D+01  0.721797D+00 -0.247378D+01  0.200562D+01
      5   0.238212D+02 -0.461979D+00  0.651318D+00 -0.635781D+00  0.453929D+00
      6   0.579161D+00 -0.610845D+01  0.396595D+01 -0.569212D+01  0.280323D+01
               131           132           133           134           135 
      1  -0.134135D+02  0.532443D+01 -0.902640D+01  0.933460D+01 -0.141720D+02
      2   0.159767D+02 -0.541295D+01  0.631925D+01 -0.105323D+02  0.975841D+01
      3  -0.256327D+01  0.885184D-01  0.270715D+01  0.119767D+01  0.441356D+01
      4   0.243470D+00  0.827604D+00 -0.486681D+01 -0.469816D+00 -0.934557D+00
      5  -0.919555D+00  0.163693D+01 -0.368881D+00  0.266287D+01 -0.425118D+01
      6  -0.517133D+01  0.903882D+01 -0.502577D+01  0.118310D+02 -0.132965D+02
               136           137           138           139           140 
      1  -0.945202D+00  0.371514D+01  0.669200D+00  0.210078D+01 -0.316257D+02
      2   0.261925D+01 -0.199553D+01  0.443736D+00  0.432600D+00  0.423341D+02
      3  -0.167405D+01 -0.171960D+01 -0.111294D+01 -0.253338D+01 -0.107085D+02
      4   0.533903D+01  0.816877D+01  0.353479D+01  0.800911D+01  0.211413D+02
      5   0.113539D+01  0.322561D+01  0.386553D+01  0.254235D+01  0.923984D+01
      6   0.372455D+01  0.102252D+01 -0.224697D+00  0.170978D+01  0.273430D+02
               141           142           143           144           145 
      1  -0.151757D+02 -0.201590D-01 -0.218317D+02 -0.187236D+02 -0.840236D+01
      2   0.170235D+02  0.221508D+01  0.231367D+02  0.134037D+02  0.730724D+01
      3  -0.184782D+01 -0.219492D+01 -0.130499D+01  0.531986D+01  0.109512D+01
      4   0.995553D+01  0.527592D+01  0.149638D+02  0.946806D+01  0.256987D+01
      5   0.611976D+01  0.333711D+01  0.993974D+01  0.875913D+01  0.358827D+01
      6   0.194794D+02  0.848467D+00  0.260074D+02  0.223423D+02  0.670346D+01
               146           147           148           149           150 
      1  -0.108258D+02 -0.632142D+01 -0.858483D+01 -0.221554D+02 -0.668044D+01
      2   0.122001D+02  0.191422D+01  0.106521D+02  0.256045D+02  0.204582D+01
      3  -0.137429D+01  0.440721D+01 -0.206729D+01 -0.344910D+01  0.463462D+01
      4   0.316336D+00  0.134782D+01  0.229682D+01 -0.628876D+01 -0.238288D+01
      5   0.493666D+01  0.290065D+01  0.652257D+01  0.288323D+01 -0.196344D+01
      6   0.981697D+01  0.368715D+01  0.717968D+01  0.183015D+02  0.928901D+01
               151           152           153           154           155 
      1  -0.154843D+01 -0.135210D+01 -0.292490D+01 -0.690229D+01  0.280329D+01
      2  -0.323599D+00 -0.176117D+01  0.131602D+01 -0.181706D+01  0.304698D+01
      3   0.187203D+01  0.311327D+01  0.160887D+01  0.871935D+01 -0.585027D+01
      4   0.152727D+01  0.257733D+00 -0.617481D+00  0.282005D+01 -0.293064D+01
      5   0.314056D+01 -0.728243D+00  0.347770D-02  0.199537D+01 -0.820031D+00
      6   0.161200D+01  0.557654D+01  0.254730D+01 -0.239639D+01  0.557814D+01
               156           157           158           159           160 
      1  -0.881201D+01  0.435335D+01 -0.960457D+01  0.100881D+02 -0.468505D+01
      2  -0.197743D+01  0.163982D+01  0.157838D+01  0.441308D+01 -0.168424D+01
      3   0.107894D+02 -0.599316D+01  0.802620D+01 -0.145012D+02  0.636929D+01
      4   0.322301D+01 -0.327801D+01  0.758066D+01 -0.453293D+01  0.315102D+01
      5   0.369882D+01 -0.184941D+01  0.551245D+00  0.355341D+01  0.539934D+01
      6  -0.290287D+01  0.448214D+01 -0.918761D+01  0.608442D+01 -0.340446D+01
               161           162           163           164           165 
      1   0.624588D+01 -0.105422D+02  0.170864D+02 -0.196293D+01 -0.407009D+01
      2   0.266575D+01 -0.692753D+01 -0.182443D+02  0.346549D+01  0.157324D+02
      3  -0.891163D+01  0.174697D+02  0.115785D+01 -0.150256D+01 -0.116623D+02
      4  -0.330336D+01  0.371966D+01 -0.138265D+02  0.100427D+02  0.104046D+02
      5  -0.178248D+00 -0.213504D+01 -0.341915D+02  0.109553D+02  0.316326D+02
      6   0.645820D+01 -0.482967D+01  0.888780D+01 -0.745337D+01 -0.100674D+02
               166           167           168           169           170 
      1  -0.109420D+01 -0.180758D+01 -0.122323D+01 -0.363155D+01 -0.102743D+01
      2   0.197187D+01  0.282145D+00 -0.623642D+00  0.129877D+02 -0.211430D+01
      3  -0.877671D+00  0.152544D+01  0.184687D+01 -0.935611D+01  0.314172D+01
      4   0.789703D+01 -0.629336D+01 -0.761167D+01  0.854828D+01 -0.654875D+01
      5   0.684973D+01 -0.783652D+01 -0.643306D+01  0.255814D+02 -0.892484D+01
      6  -0.530315D+01  0.648185D+01  0.841491D+01 -0.805651D+01  0.785632D+01
               171           172           173           174           175 
      1  -0.287786D+01  0.166010D+02 -0.245137D+01  0.100580D+02  0.452066D+01
      2  -0.173821D+02 -0.122334D+02  0.127801D+01 -0.111845D+02 -0.331378D+01
      3   0.202600D+02 -0.436759D+01  0.117336D+01  0.112650D+01 -0.120687D+01
      4  -0.895997D+01 -0.625126D+01  0.340888D+01 -0.144559D+01  0.108485D+01
      5  -0.306368D+02  0.151547D+02  0.108471D+01  0.199045D+02  0.618353D+01
      6   0.113332D+02 -0.334962D+01  0.694956D-01 -0.588305D+01 -0.372065D+00
               176           177           178           179           180 
      1  -0.196210D+01  0.486507D+01  0.130691D+02  0.276583D+01  0.876512D+01
      2  -0.135972D+00 -0.734063D+01 -0.144807D+02 -0.501368D+01 -0.249657D+02
      3   0.209807D+01  0.247556D+01  0.141161D+01  0.224785D+01  0.162006D+02
      4   0.372596D+01  0.459826D+01 -0.470077D+01  0.844571D+01 -0.503368D+01
      5   0.512501D+01  0.880863D+01  0.270019D+02 -0.922386D+00  0.475693D+02
      6   0.867477D-02  0.196114D+01 -0.832255D+01  0.535086D+01 -0.169977D+02
               181           182           183           184           185 
      1  -0.922538D+01 -0.213176D+02  0.229795D+01 -0.152768D+02 -0.353510D+02
      2   0.971811D+01  0.232195D+02 -0.255925D+01  0.119045D+02  0.480154D+02
      3  -0.492731D+00 -0.190189D+01  0.261301D+00  0.337233D+01 -0.126645D+02
      4   0.188241D+00 -0.655542D+01  0.330786D+01  0.478240D+01 -0.274796D+02
      5  -0.312545D+01  0.152421D+01 -0.702606D+00 -0.860537D+00  0.230282D+01
      6  -0.134593D+01 -0.654183D+01  0.444858D+01 -0.292749D+01 -0.125028D+02
               186           187           188           189           190 
      1   0.685159D+01 -0.240802D+00  0.689068D+01 -0.392129D+01  0.627533D+02
      2  -0.623951D+01 -0.139936D+01 -0.496704D+01  0.312062D+01 -0.244827D+02
      3  -0.612088D+00  0.164017D+01 -0.192364D+01  0.800665D+00 -0.382706D+02
      4   0.349890D+01  0.234219D+01  0.133168D+01 -0.378475D+01 -0.415808D+02
      5  -0.401500D+01  0.307105D+01 -0.395282D+01  0.444182D+01 -0.147640D+02
      6   0.868982D+01  0.970975D+00  0.861739D+01 -0.443618D+01  0.736698D+01
               191           192           193           194           195 
      1  -0.203289D+02 -0.150792D+02 -0.124577D+02  0.555789D+01  0.405912D+01
      2   0.415179D+01  0.488163D+01  0.410123D+00  0.505122D+01  0.654239D-01
      3   0.161771D+02  0.101975D+02  0.120476D+02 -0.106091D+02 -0.412455D+01
      4   0.240965D+02  0.106789D+02  0.203511D+02 -0.170970D+02 -0.724841D+01
      5   0.590316D+01  0.151984D+02  0.478816D+01 -0.529011D+01 -0.238770D+01
      6  -0.401108D+01 -0.728340D+01 -0.389709D+01  0.223041D+01  0.350273D+01
               196           197           198           199           200 
      1  -0.272574D+02  0.893397D+01  0.134723D+02 -0.807097D+00  0.151410D+01
      2   0.935295D+01 -0.619347D-01 -0.796049D+01 -0.164609D+00 -0.163075D+00
      3   0.179045D+02 -0.887203D+01 -0.551181D+01  0.971706D+00 -0.135102D+01
      4   0.217442D+02 -0.167894D+02 -0.103208D+02  0.336709D+01  0.513421D+01
      5   0.187436D+02 -0.677925D+01 -0.126323D+02 -0.120135D+01 -0.199764D+01
      6  -0.880808D+01  0.477268D+01  0.698199D+01 -0.246854D+01 -0.802428D+00
               201           202           203           204           205 
      1  -0.132577D+01  0.188814D+01 -0.132438D+02  0.570055D+01 -0.105731D+01
      2   0.515409D+00 -0.499147D+00  0.134199D+02 -0.246162D+01  0.254192D+01
      3   0.810358D+00 -0.138900D+01 -0.176149D+00 -0.323893D+01 -0.148461D+01
      4  -0.122676D+01  0.540692D+01  0.921782D+01 -0.301111D+01 -0.140344D+01
      5   0.134956D+01 -0.248240D+01 -0.386437D+01  0.253911D+01  0.183663D+01
      6   0.555787D+00 -0.773167D+00 -0.112651D+02  0.660366D+01  0.224201D+01
               206           207           208           209           210 
      1   0.469078D+01 -0.154577D+01 -0.407390D+00 -0.206773D+01  0.631304D+00
      2  -0.244433D+01  0.920680D+00  0.246054D+01  0.147355D+01 -0.291636D+00
      3  -0.224645D+01  0.625094D+00 -0.205315D+01  0.594176D+00 -0.339668D+00
      4  -0.139886D+01  0.543207D+00 -0.175217D+01  0.476405D+01 -0.967019D+00
      5   0.173732D+01 -0.258826D+00  0.104668D+01 -0.441345D+00  0.743155D+00
      6   0.481830D+01 -0.366744D+01 -0.662715D+00  0.968228D+00  0.307713D-01
               211           212           213           214           215 
      1  -0.486289D+01 -0.208113D+02  0.322538D+01  0.241690D+01  0.502634D+01
      2   0.245605D+01  0.267984D+02 -0.307665D+01 -0.281230D+00 -0.521582D+01
      3   0.240684D+01 -0.598711D+01 -0.148733D+00 -0.213567D+01  0.189485D+00
      4   0.298366D+01 -0.198195D+02  0.302156D+01 -0.149645D+01  0.517300D+01
      5  -0.495736D+00  0.238100D+01 -0.237775D+01 -0.105640D+01 -0.216611D+01
      6   0.492385D+00 -0.173769D+01  0.470445D+01  0.172963D+01  0.363768D+01
               216           217           218           219           220 
      1  -0.407177D+01  0.512155D+01  0.681505D+01 -0.637943D+01  0.507067D+01
      2   0.311663D+01 -0.370075D+01 -0.512245D+01  0.219738D+01 -0.272703D+01
      3   0.955143D+00 -0.142079D+01 -0.169261D+01  0.418205D+01 -0.234363D+01
      4  -0.259357D+01  0.286451D+01 -0.294686D+01 -0.115747D+01  0.209810D+01
      5   0.163665D+01 -0.328816D+01  0.326869D+00 -0.510116D+00 -0.228959D+00
      6  -0.237439D+01 -0.245895D+01  0.121286D+01 -0.277656D+01 -0.840455D+00
               221           222           223           224           225 
      1  -0.843844D+01  0.503282D+01 -0.859252D+01  0.506325D+01 -0.174533D+02
      2   0.658813D+01 -0.392166D+01  0.431600D+01 -0.287077D+01 -0.379456D+01
      3   0.185031D+01 -0.111116D+01  0.427652D+01 -0.219247D+01  0.212479D+02
      4   0.779703D+01 -0.649945D+01 -0.926352D+01 -0.153119D+02  0.137846D+02
      5  -0.700052D+01  0.900789D+01  0.857567D+01  0.159293D+02 -0.447831D+02
      6  -0.574160D+01  0.987176D+01  0.283202D+01  0.135204D+02 -0.241887D+02
               226           227           228           229           230 
      1   0.888729D+02  0.211149D+02  0.633039D+01  0.919141D+01  0.861672D+01
      2  -0.403201D+02 -0.577106D+01 -0.286880D+01 -0.187580D+00 -0.646592D+00
      3  -0.485528D+02 -0.153438D+02 -0.346159D+01 -0.900382D+01 -0.797013D+01
      4   0.443001D+02  0.232386D+02  0.343765D+01  0.162552D+02  0.990163D+01
      5   0.342808D+01  0.112836D+01  0.123286D+02  0.103373D+01  0.233658D+01
      6   0.304598D+01  0.573961D+00  0.424905D+01  0.187015D+00  0.128076D+01
               231           232           233           234           235 
      1   0.480479D+00  0.122747D+02  0.276954D+01  0.757948D+01 -0.644777D+01
      2   0.100642D+01 -0.588862D+01  0.390648D+00 -0.452853D+01  0.630985D+01
      3  -0.148690D+01 -0.638610D+01 -0.316019D+01 -0.305094D+01  0.137917D+00
      4   0.280984D+01  0.723215D+01  0.559179D+01  0.684973D+01 -0.244043D+00
      5   0.268680D+01  0.124281D+02  0.540203D+01  0.236150D+01  0.486646D+01
      6   0.244819D+01  0.408111D+01  0.340055D+01  0.670968D+00  0.403708D+01
               236           237           238           239           240 
      1   0.154991D+02  0.966729D+01  0.150477D+02 -0.222262D+02 -0.874908D+01
      2  -0.154500D+02 -0.657300D+01 -0.102350D+02  0.275146D+02  0.993684D+01
      3  -0.490631D-01 -0.309429D+01 -0.481272D+01 -0.528840D+01 -0.118776D+01
      4  -0.904518D+01  0.602699D-01  0.167967D+01  0.205007D+02  0.676362D+01
      5  -0.213102D+01 -0.572824D+01 -0.267822D+01  0.828658D+01  0.971409D+01
      6  -0.414106D+01 -0.549229D+01 -0.208324D+01  0.892438D+01  0.854287D+01
               241           242           243 
      1   0.110070D+02 -0.100684D+02 -0.139126D+02
      2  -0.565111D+01  0.124057D+02  0.870944D+01
      3  -0.535593D+01 -0.233727D+01  0.520317D+01
      4   0.353411D+01  0.124962D+02  0.858531D+01
      5  -0.153612D+01  0.109037D+02  0.773503D+01
      6  -0.244165D+01  0.113384D+02  0.822712D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.163455D+01      0.415461D+01      0.138583D+02
   x         -0.136998D+01     -0.348215D+01     -0.116152D+02
   y          0.776975D+00      0.197487D+01      0.658747D+01
   z         -0.437281D+00     -0.111146D+01     -0.370743D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.122976D+03      0.182231D+02      0.202760D+02
   aniso      0.549590D+02      0.814409D+01      0.906152D+01
   xx         0.156905D+03      0.232509D+02      0.258702D+02
   yx        -0.462895D+01     -0.685940D+00     -0.763211D+00
   yy         0.114848D+03      0.170188D+02      0.189360D+02
   zx         0.596254D+01      0.883557D+00      0.983090D+00
   zy        -0.288982D+01     -0.428228D+00     -0.476467D+00
   zz         0.971737D+02      0.143997D+02      0.160218D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.130921D+03      0.194004D+02      0.215859D+02
   aniso      0.584129D+02      0.865590D+01      0.963099D+01
   xx         0.166889D+03      0.247304D+02      0.275163D+02
   yx        -0.611402D+01     -0.906004D+00     -0.100807D+01
   yy         0.121770D+03      0.180445D+02      0.200772D+02
   zx         0.651786D+01      0.965847D+00      0.107465D+01
   zy        -0.302552D+01     -0.448336D+00     -0.498841D+00
   zz         0.104102D+03      0.154263D+02      0.171641D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -3.25828751         -1.60403783          2.31617098
     6         -1.72098024          0.55428703          3.44641798
     6          0.26591024          1.68261315          1.52388986
     6          1.43187682         -0.02015056         -0.36939875
     6          1.13284566          0.11599839         -2.87029308
     6          2.28446542         -1.62000062         -4.72581015
     8          1.89301693         -1.31764368         -6.97168727
     6         -0.69457599         -0.15382937          6.02980068
     6         -3.14392032          3.11696354          3.24241318
     6         -1.68826356          3.71295013          0.78045115
     6          3.93975388         -3.76686357         -3.80415890
     1         -2.62719622          4.39587902          4.77417625
     1         -5.19824159          3.01839374          3.12474761
     1          1.77701792          2.54479182          2.64517050
     1         -2.76358812          3.18124153         -0.89227968
     1         -0.98924335          5.63085893          0.52448708
     1         -2.12793452         -3.32245080          2.14516953
     1         -3.97308384         -1.13885836          0.43952474
     1         -4.87627538         -2.02696389          3.52651795
     1          0.38898263          1.39678099          6.85383386
     1          0.54102174         -1.80609607          5.91376835
     1         -2.23151403         -0.61661695          7.33026176
     1          2.61443634         -1.50818162          0.40862760
     1         -0.02314221          1.58102255         -3.71462694
     1          5.56453707         -3.04397450         -2.75734295
     1          4.59671110         -4.83960913         -5.42816625
     1          2.89043963         -5.01265132         -2.53726585

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.163455D+01      0.415461D+01      0.138583D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.163455D+01      0.415461D+01      0.138583D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.122976D+03      0.182231D+02      0.202760D+02
   aniso      0.549590D+02      0.814409D+01      0.906152D+01
   xx         0.106560D+03      0.157905D+02      0.175694D+02
   yx        -0.120329D+02     -0.178309D+01     -0.198395D+01
   yy         0.112143D+03      0.166178D+02      0.184898D+02
   zx        -0.145664D+02     -0.215852D+01     -0.240168D+01
   zy         0.922995D+01      0.136774D+01      0.152181D+01
   zz         0.150225D+03      0.222610D+02      0.247687D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.130921D+03      0.194004D+02      0.215859D+02
   aniso      0.584129D+02      0.865590D+01      0.963099D+01
   xx         0.113335D+03      0.167945D+02      0.186865D+02
   yx        -0.118132D+02     -0.175053D+01     -0.194773D+01
   yy         0.118662D+03      0.175838D+02      0.195646D+02
   zx        -0.152431D+02     -0.225879D+01     -0.251324D+01
   zy         0.950521D+01      0.140853D+01      0.156720D+01
   zz         0.160765D+03      0.238229D+02      0.265065D+02

 ----------------------------------------------------------------------
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 ... SUBJECTS WHICH DISCLOSE THEIR FULL POWER, MEANING AND BEAUTY AS SOON
 AS THEY ARE PRESENTED TO THE MIND HAVE VERY LITTLE OF THOSE QUALITIES
 TO DISCLOSE.
                           -- CHARLES DUTTON (1882)
 Job cpu time:       0 days 18 hours  0 minutes  5.5 seconds.
 Elapsed time:       0 days  2 hours 15 minutes  5.7 seconds.
 File lengths (MBytes):  RWF=    454 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 23:28:40 2021.
